71551199 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 8 7 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 10 10 11 11 11 12 12 12 13 14 14 15 15 16 16 17 17 18 18 19 20 21 22 22 23 23 24 24 25 9 6 11 30 8 9 31 13 41 42 19 20 43 7 9 10 8 26 27 28 29 13 14 12 32 33 15 34 35 17 18 36 16 19 20 22 21 37 21 38 39 23 40 24 44 25 45 25 46 47 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 2 1 1 1 1 1 2 1 1 6 2 7 9 10 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 8.2297 6.2781 8.8655 5.2566 4.6783 7.2566 7.4628 8.4572 8.1235 6.7581 5.9674 4.9889 5.7581 7.2596 4.6783 3.732 5.2596 6.7611 5.2619 3.732 5.7611 2.866 2.866 2 2 6.8461 7.4618 8.3272 9.0465 5.864 9.4722 5.988 6.5812 4.9684 4.3751 7.8796 4.6396 7.072 5.8819 5.452 4.6366 5.5657 4.8709 2.866 2.866 1.4631 1.4631 2.4486 0.7496 0.7839 0.9593 -2.9671 0.9558 -0.0227 -0.129 1.4543 1.8227 -0.2009 -0.4072 1.8244 2.6878 -1.3577 -1.6624 2.6913 3.5547 -2.1624 -2.6624 3.5565 -1.1624 -3.1624 -1.6624 -2.6624 -0.0864 -0.6427 -0.7352 -0.3216 1.211 0.9117 -0.8206 -0.2883 0.2125 -0.3198 2.6868 2.6924 4.0911 -2.1624 4.0939 0.9603 0.4218 -3.5565 -0.5424 -3.7824 -1.3524 -2.9724 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 10 10 13 14 15 15 16 16 17 18 20 22 23 24 19 20 2 13 14 17 18 16 19 20 22 21 21 23 24 25 25 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 484 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA000000000000000000000000000000162C0000030600000000000005801F400001E00100000000C88C19E043CC0F2C99000A8033577540082802031022008D9A1B864980860F2C0D5B1942008609600C8C8071C88C08E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-aminophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidin-2-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-aminophenyl)-3-[2-(1H-indol-3-yl)ethylamino]-2-pyrrolidinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-aminophenyl)-3-[2-(1<I>H</I>-indol-3-yl)ethylamino]pyrrolidin-2-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-aminophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidin-2-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-aminophenyl)-3-[2-(1H-indol-3-yl)ethylamino]pyrrolidin-2-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-(2-aminophenyl)-3-[2-(1H-indol-3-yl)ethylamino]-2-pyrrolidone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H22N4O/c21-17-7-3-2-6-16(17)20(10-12-22-19(20)25)24-11-9-14-13-23-18-8-4-1-5-15(14)18/h1-8,13,23-24H,9-12,21H2,(H,22,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 WNULLKJYAQDGOE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.17936134 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H22N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CNC(=O)C1(C2=CC=CC=C2N)NCCC3=CNC4=CC=CC=C43 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CNC(=O)C1(C2=CC=CC=C2N)NCCC3=CNC4=CC=CC=C43 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 82.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.17936134 25 1 0 1 0 0 0 0 1 -1