4-[4,4-bis(fluoranyl)-5-oxidanylidene-2,3-dihydro-1-benzazepin-1-yl]-2-(4-methylphenyl)-3-(oxidanylidenemethylidene)-N-phenyl-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: 4-[4,4-bis(fluoranyl)-5-oxidanylidene-2,3-dihydro-1-benzazepin-1-yl]-2-(4-methylphenyl)-3-(oxidanylidenemethylidene)-N-phenyl-cyclohexa-1,5-diene-1-carboxamide Openeye Name: 4-(4,4-difluoro-5-oxo-2,3-dihydro-1-benzazepin-1-yl)-3-(oxomethylene)-N-phenyl-2-(p-tolyl)cyclohexa-1,5-diene-1-carboxamide CAS Name: 4-(4,4-difluoro-5-oxo-2,3-dihydro-1-benzazepin-1-yl)-2-(4-methylphenyl)-3-(oxomethylidene)-N-phenyl-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: 4-(4,4-difluoro-5-oxo-2,3-dihydro-1-benzazepin-1-yl)-2-(4-methylphenyl)-3-(oxomethylidene)-N-phenylcyclohexa-1,5-diene-1-carboxamide Traditional Name: 4-(4,4-difluoro-5-keto-2,3-dihydro-1-benzazepin-1-yl)-3-(ketomethylene)-N-phenyl-2-(p-tolyl)cyclohexa-1,5-diene-1-carboxamide Formula: C31H24F2N2O3 MolecularWeight: 510.530666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC(C2=C=O)N3CCC(C(=O)C4=CC=CC=C43)(F)F)C(=O)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC(C2=C=O)N3CCC(C(=O)C4=CC=CC=C43)(F)F)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C31H24F2N2O3/c1-20-11-13-21(14-12-20)28-24(30(38)34-22-7-3-2-4-8-22)15-16-27(25(28)19-36)35-18-17-31(32,33)29(37)23-9-5-6-10-26(23)35/h2-16,27H,17-18H2,1H3,(H,34,38)