3-(oxidanylidenemethylidene)-4-[(2E)-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-N,2-diphenyl-cyclohexa-1,5-diene-1-carboxamide

Systemtic Name: 3-(oxidanylidenemethylidene)-4-[(2E)-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-N,2-diphenyl-cyclohexa-1,5-diene-1-carboxamide Openeye Name: 4-[(2E)-2-[2-(benzylamino)-2-oxo-ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-3-(oxomethylene)-N,2-diphenyl-cyclohexa-1,5-diene-1-carboxamide CAS Name: 3-(oxomethylidene)-4-[(2E)-2-[2-oxo-2-[(phenylmethyl)amino]ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-N,2-diphenyl-1-cyclohexa-1,5-dienecarboxamide IUPAC Name: 4-[(2E)-2-[2-(benzylamino)-2-oxoethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-3-(oxomethylidene)-N,2-diphenylcyclohexa-1,5-diene-1-carboxamide Traditional Name: 4-[(2E)-2-[2-(benzylamino)-2-keto-ethylidene]-4,5-dihydro-3H-1-benzazepin-1-yl]-3-(ketomethylene)-N,2-diphenyl-cyclohexa-1,5-diene-1-carboxamide Formula: C39H33N3O3 MolecularWeight: 591.69762

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C(=CC(=O)NCC3=CC=CC=C3)C1)C4C=CC(=C(C4=C=O)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6

Isomeric SMILES

C1CC2=CC=CC=C2N(/C(=C/C(=O)NCC3=CC=CC=C3)/C1)C4C=CC(=C(C4=C=O)C5=CC=CC=C5)C(=O)NC6=CC=CC=C6

InChI

InChI=1S/C39H33N3O3/c43-27-34-36(24-23-33(38(34)30-16-6-2-7-17-30)39(45)41-31-19-8-3-9-20-31)42-32(21-12-18-29-15-10-11-22-35(29)42)25-37(44)40-26-28-13-4-1-5-14-28/h1-11,13-17,19-20,22-25,36H,12,18,21,26H2,(H,40,44)(H,41,45)/b32-25+