3-[[(5E)-5-(cyanomethylidene)-4,4-bis(fluoranyl)-2,3-dihydro-1-benzazepin-1-yl]carbonyl]-2-(4-methylphenyl)-N-phenyl-benzamide

Systemtic Name: 3-[[(5E)-5-(cyanomethylidene)-4,4-bis(fluoranyl)-2,3-dihydro-1-benzazepin-1-yl]carbonyl]-2-(4-methylphenyl)-N-phenyl-benzamide Openeye Name: 3-[(5E)-5-(cyanomethylene)-4,4-difluoro-2,3-dihydro-1-benzazepine-1-carbonyl]-N-phenyl-2-(p-tolyl)benzamide CAS Name: 3-[[(5E)-5-(cyanomethylidene)-4,4-difluoro-2,3-dihydro-1-benzazepin-1-yl]-oxomethyl]-2-(4-methylphenyl)-N-phenylbenzamide IUPAC Name: 3-[(5E)-5-(cyanomethylidene)-4,4-difluoro-2,3-dihydro-1-benzazepine-1-carbonyl]-2-(4-methylphenyl)-N-phenylbenzamide Traditional Name: 3-[(5E)-5-(cyanomethylene)-4,4-difluoro-2,3-dihydro-1-benzazepine-1-carbonyl]-N-phenyl-2-(p-tolyl)benzamide Formula: C33H25F2N3O2 MolecularWeight: 533.567306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C=CC=C2C(=O)NC3=CC=CC=C3)C(=O)N4CCC(C(=CC#N)C5=CC=CC=C54)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C=CC=C2C(=O)NC3=CC=CC=C3)C(=O)N4CCC(/C(=C/C#N)/C5=CC=CC=C54)(F)F

InChI

InChI=1S/C33H25F2N3O2/c1-22-14-16-23(17-15-22)30-26(31(39)37-24-8-3-2-4-9-24)11-7-12-27(30)32(40)38-21-19-33(34,35)28(18-20-36)25-10-5-6-13-29(25)38/h2-18H,19,21H2,1H3,(H,37,39)/b28-18+