44202091 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 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 1 1 2 2 2 3 3 3 4 4 4 5 5 5 6 6 6 7 9 9 10 10 11 11 12 12 13 13 14 14 15 16 16 17 17 18 18 19 19 20 20 21 21 22 22 23 24 8 3 6 7 4 25 26 8 27 28 7 8 9 10 29 30 31 11 13 16 17 12 32 14 18 15 33 15 19 34 20 35 21 36 22 37 23 38 24 39 24 40 23 41 42 43 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 2 1 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 2 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 4.5981 4.5981 3.732 3.732 5.4641 4.5981 5.4641 4.5981 6.3301 3.732 7.1962 8.0622 6.3301 8.0622 7.1962 3.732 2.866 8.9561 8.9561 2.866 2 9.8622 9.8622 2 3.1215 3.52 3.52 3.1215 4.8101 5.2087 6.001 7.1962 5.7932 7.1962 4.269 2.866 8.949 8.949 2.866 1.4631 10.3979 10.3979 1.4631 2.7327 -0.2673 0.2327 1.2327 1.2327 -1.2673 0.2327 1.7327 1.7327 -1.7673 1.2327 1.7327 2.7327 2.7327 3.2327 -2.7673 -1.2673 1.198 3.2673 -3.2673 -1.7673 1.7118 2.7535 -2.7673 0.3403 -0.3499 1.8153 1.125 -1.8499 -1.1597 -0.0773 0.6127 3.0427 3.8527 -3.0773 -0.6473 0.578 3.8873 -3.8873 -1.4573 1.3998 3.0656 -3.0773 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 10 11 12 12 13 14 14 16 17 18 19 20 21 22 11 13 16 17 12 14 18 15 15 19 20 21 22 23 24 24 23 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 476 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07A20000000000000000000000000000000000000003060C1000000000000C15400001E00000000000C04C198043000C30000008802A05640008200002000000888010804C808203A8095118420086080008888C71888C08EC0000200001000008000040000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-benzyl-5-(2-naphthyl)-2,3-dihydropyridin-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-(2-naphthalenyl)-1-(phenylmethyl)-2,3-dihydropyridin-4-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-benzyl-5-naphthalen-2-yl-2,3-dihydropyridin-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-benzyl-5-naphthalen-2-yl-2,3-dihydropyridin-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 5-naphthalen-2-yl-1-(phenylmethyl)-2,3-dihydropyridin-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 1-benzyl-5-(2-naphthyl)-2,3-dihydropyridin-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C22H19NO/c24-22-12-13-23(15-17-6-2-1-3-7-17)16-21(22)20-11-10-18-8-4-5-9-19(18)14-20/h1-11,14,16H,12-13,15H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 YTQAGAXCJZMROT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.146664230 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C22H19NO Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C=C(C1=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1CN(C=C(C1=O)C2=CC3=CC=CC=C3C=C2)CC4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 20.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 313.146664230 24 0 0 0 0 0 0 0 1 -1