10689564 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 48 8 8 7 6 6 6 6 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 2 2 3 3 3 4 4 5 5 6 6 7 8 8 8 9 10 10 11 11 12 12 13 14 14 15 16 16 16 17 17 18 18 19 19 20 20 21 22 22 23 23 24 24 25 25 26 27 27 27 9 13 27 4 6 10 5 9 7 8 7 11 28 16 29 30 12 15 31 13 32 14 17 15 18 19 33 34 35 36 20 37 22 23 21 38 21 39 40 24 41 25 42 26 43 26 44 45 46 47 48 2 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 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 48 6.0531 2.866 5.4641 6.4103 6.9939 5.4641 6.4103 7.9939 6.721 4.5981 4.5981 7.6995 3.732 8.0102 3.732 8.4939 8.3673 7.3423 8.9887 9.3458 9.6565 7.653 6.3638 6.9851 5.696 6.0066 2 6.6029 7.8863 8.5765 4.5981 4.5981 3.1951 9.0309 8.8039 7.957 8.1747 9.1813 9.7599 10.2632 8.2596 6.1712 7.1777 5.0893 5.5926 1.69 1.4631 2.31 -0.324 3.1756 1.6756 1.3708 2.1756 2.6756 2.9803 2.1756 0.4203 1.1756 3.1756 0.2141 2.6756 -0.7364 1.6756 3.0416 0.9584 -1.4807 -0.9427 0.7522 -0.1984 -2.4313 -1.2745 -3.1756 -2.0188 -2.9693 2.6756 3.5696 1.565 1.9635 0.5556 3.7956 1.3656 2.7316 3.5785 3.3516 1.5477 -1.532 1.2136 -0.3262 -2.5591 -0.6852 -3.7649 -1.891 -3.4308 3.2125 2.3656 2.1386 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 5 6 6 10 11 12 12 13 14 17 18 18 19 20 22 23 24 25 4 6 10 5 7 7 11 15 13 14 17 15 19 20 22 23 21 21 24 25 26 26 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 501 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000001600000003C608000000000005801F400001E00000000000C0CC19E063EC6B30C1C00A803B477440082882037222008D821BE6CD80C26F2C4B5BB84312866C019C8E98798C9F09E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-7-methoxy-indolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-7-methoxy-3-indolizinyl)-(2-phenylphenyl)methanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-7-methoxyindolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-7-methoxyindolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-7-methoxy-indolizin-3-yl)-(2-phenylphenyl)methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-ethyl-7-methoxy-indolizin-3-yl)-(2-phenylphenyl)methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C24H21NO2/c1-3-17-15-19-16-20(27-2)13-14-25(19)23(17)24(26)22-12-8-7-11-21(22)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AEPCQIBMSGWIBB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 6.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.157228913 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C24H21NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=C(N2C=CC(=CC2=C1)OC)C(=O)C3=CC=CC=C3C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCC1=C(N2C=CC(=CC2=C1)OC)C(=O)C3=CC=CC=C3C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 30.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 355.157228913 27 0 0 0 0 0 0 0 1 -1