15881632 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 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 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 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 17 18 18 20 20 21 21 22 22 23 23 24 25 25 25 9 19 25 4 6 10 5 9 7 8 7 11 26 14 15 12 13 27 16 28 20 21 16 31 17 29 18 30 32 19 33 19 34 22 35 23 36 24 37 24 38 39 40 41 42 2 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 2 1 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 5.9674 9.2619 3.732 4.6783 5.2619 3.732 4.6783 6.2619 4.9889 2.866 2.866 4.3211 2 6.7619 6.7619 2 7.7619 7.7619 8.2619 4.6318 3.3426 3.9639 2.6747 2.9854 9.7619 4.8709 2.866 2.866 6.4519 6.4519 1.4631 1.4631 8.0719 8.0719 5.2384 3.15 4.1565 2.0681 2.5713 10.2988 10.0719 9.2249 -0.3643 1.5972 1.0972 0.7925 1.5972 2.0972 2.4019 1.5972 -0.1581 0.5972 2.5972 -0.9024 1.0972 2.4632 0.7312 2.0972 2.4632 0.7312 1.5972 -1.8529 -0.6961 -2.5972 -1.4404 -2.391 2.4632 2.9912 -0.0228 3.2172 3.0002 0.1942 0.7872 2.4072 3.0002 0.1942 -1.9807 -0.1068 -3.1865 -1.3126 -2.8524 2.1532 3.0002 2.7732 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 8 8 10 11 12 12 13 14 15 17 18 20 21 22 23 4 6 10 5 7 7 11 14 15 13 16 20 21 16 17 18 19 19 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 451 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07A30000000000000000000000000000001600000003C608000000000005801F400001E00000000000C0CC19E063EC6B30C1C00A803B477440082882037222008D821BE6CD80C26F2C4B5BB84312864C011C8E98798C9F09EA0000000000000004000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(4-methoxyphenyl)indolizin-3-yl]-phenyl-methanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(4-methoxyphenyl)-3-indolizinyl]-phenylmethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(4-methoxyphenyl)indolizin-3-yl]-phenylmethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(4-methoxyphenyl)indolizin-3-yl]-phenylmethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(4-methoxyphenyl)indolizin-3-yl]-phenyl-methanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 [2-(4-methoxyphenyl)indolizin-3-yl]-phenyl-methanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C22H17NO2/c1-25-19-12-10-16(11-13-19)20-15-18-9-5-6-14-23(18)21(20)22(24)17-7-3-2-4-8-17/h2-15H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FKOCDTUQPNAICE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 5.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 327.125928785 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C22H17NO2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 327.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C(=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC=C(C=C1)C2=C(N3C=CC=CC3=C2)C(=O)C4=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 2021.10.14 327.125928785 25 0 0 0 0 0 0 0 1 -1