68464384 -OEChem-04162414042D 63 67 0 1 0 0 0 0 0999 V2000 5.6653 1.2014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2924 2.7130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6955 -1.9078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6974 0.9898 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 0.5752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 -1.0202 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3467 0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5584 -0.5164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2989 0.1555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6747 1.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3755 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3550 -0.2096 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9944 1.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9790 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6700 0.5752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9933 0.4609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0350 -1.1570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2987 -0.4913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0160 0.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3610 1.5262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 2.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6267 -1.2319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3440 -0.0680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9773 -1.7608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9850 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3456 1.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6426 0.9898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9645 -0.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2827 -2.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6824 0.9822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9844 -0.7509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8889 -1.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7890 -0.2243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5879 0.7041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1992 1.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4402 1.7754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3939 -0.6206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9892 -0.0887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7468 -0.3303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8040 1.0513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4910 -0.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6476 -1.6411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6785 -0.9814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8472 -0.2024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2504 1.2465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 1.0032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3922 -1.8059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1512 -1.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9642 0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7954 -0.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1700 2.7340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -1.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1834 -0.7970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1608 2.3503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5514 -0.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1312 -0.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -1.4179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8688 -2.1551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6923 -2.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -3.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8731 -2.5237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4971 -2.4952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 27 1 0 0 0 0 2 13 2 0 0 0 0 3 17 1 0 0 0 0 3 63 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 31 1 0 0 0 0 8 9 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 17 1 1 0 0 0 12 40 1 0 0 0 0 13 14 1 0 0 0 0 14 21 2 0 0 0 0 15 20 2 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 22 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 23 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 52 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 29 1 0 0 0 0 24 30 1 0 0 0 0 24 53 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > 68464384 > 1 > 617 > 4 > 1 > 6 > AAADcfB7MAAAAAAAAAAAAAAAGAAAAWAAAAA8WIAAAAAAAFgB8AAAHgAACAAADTzhngYyxvMMFgCoAyVyVACCiCAnIiAI2CG+bNgOdvLEtbuWeSjmxhHY6Ye42bOeAEABAAACAAAAgAIAAAQAAAAAAAAAAA== > (4S)-2-(cyclopropylmethyl)-4-(hydroxymethyl)-8-[(1-isopropyl-4-piperidyl)oxy]-3,4-dihydropyrazino[1,2-a]indol-1-one > (4S)-2-(cyclopropylmethyl)-4-(hydroxymethyl)-8-[(1-propan-2-yl-4-piperidinyl)oxy]-3,4-dihydropyrazino[1,2-a]indol-1-one > (4S)-2-(cyclopropylmethyl)-4-(hydroxymethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one > (4S)-2-(cyclopropylmethyl)-4-(hydroxymethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one > (4S)-2-(cyclopropylmethyl)-4-(hydroxymethyl)-8-(1-propan-2-ylpiperidin-4-yl)oxy-3,4-dihydropyrazino[1,2-a]indol-1-one > (4S)-2-(cyclopropylmethyl)-8-[(1-isopropyl-4-piperidyl)oxy]-4-methylol-3,4-dihydropyrazin[1,2-a]indol-1-one > InChI=1S/C24H33N3O3/c1-16(2)25-9-7-20(8-10-25)30-21-5-6-22-18(11-21)12-23-24(29)26(13-17-3-4-17)14-19(15-28)27(22)23/h5-6,11-12,16-17,19-20,28H,3-4,7-10,13-15H2,1-2H3/t19-/m0/s1 > YZPFRHWGGIOVRN-IBGZPJMESA-N > 3 > 411.25219192 > C24H33N3O3 > 411.5 > CC(C)N1CCC(CC1)OC2=CC3=C(C=C2)N4C(CN(C(=O)C4=C3)CC5CC5)CO > CC(C)N1CCC(CC1)OC2=CC3=C(C=C2)N4[C@@H](CN(C(=O)C4=C3)CC5CC5)CO > 57.9 > 411.25219192 > 0 > 30 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 12 17 5 14 21 8 15 20 8 15 25 8 20 21 8 20 26 8 25 28 8 26 27 8 27 28 8 5 14 8 5 15 8 $$$$