34312 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 8 8 7 7 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 2 3 3 3 4 4 4 5 5 5 6 7 7 7 8 8 9 9 11 11 12 12 13 13 14 14 16 16 17 18 18 19 10 15 6 8 15 15 30 31 6 7 11 12 10 20 21 9 13 10 14 16 22 17 23 18 24 19 25 17 26 27 19 28 29 2 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 2 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 3.9491 4.017 4.883 5.749 6.0065 5.784 5.383 3.982 3.7595 4.383 6.997 6.5365 3.2295 2.769 4.883 7.766 7.5342 2.2318 2 5.9416 5.245 7.128 6.3916 3.3744 2.638 8.3578 7.9871 1.7789 1.4083 5.749 6.2859 2.6058 -1.9858 -0.4858 -1.9858 0.923 -0.0519 1.7048 -0.0519 0.923 1.7048 1.2453 -0.7721 -0.7721 1.2454 -1.4858 0.5427 -0.4728 -0.4727 0.5428 1.9738 2.3093 1.8513 -1.3749 -1.3749 1.8514 0.7278 -0.8962 -0.8962 0.7278 -2.6058 -1.6758 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 8 8 9 11 12 13 14 16 18 6 11 12 9 13 14 16 17 18 19 17 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 382 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733000000000000000000000000000000000000000306000000580000000014000001E00100000000C0C81980031C0834000008802A45250008200002502000888010064C888207AC09591842188608402C8C9E71C88C08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-oxo-6<I>H</I>-benzo[b][1]benzazepine-11-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-oxo-6H-benzo[b][1]benzazepine-11-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-oxidanylidene-6H-benzo[b][1]benzazepine-11-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 5-keto-6H-benzo[b][1]benzazepine-11-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H12N2O2/c16-15(19)17-12-7-3-1-5-10(12)9-14(18)11-6-2-4-8-13(11)17/h1-8H,9H2,(H2,16,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CTRLABGOLIVAIY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 1.7 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.089877630 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H12N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1C2=CC=CC=C2N(C3=CC=CC=C3C1=O)C(=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 63.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 252.089877630 19 0 0 0 0 0 0 0 1 4