(E)-3-(3,4-dichlorophenyl)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)prop-2-enamide

Systemtic Name: (E)-3-(3,4-dichlorophenyl)-N-(1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)prop-2-enamide Openeye Name: (E)-3-(3,4-dichlorophenyl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)prop-2-enamide CAS Name: (E)-3-(3,4-dichlorophenyl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)-2-propenamide IUPAC Name: (E)-3-(3,4-dichlorophenyl)-N-(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)prop-2-enamide Traditional Name: (E)-3-(3,4-dichlorophenyl)-N-(2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)acrylamide Formula: C25H19Cl2N3O2 MolecularWeight: 464.34326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C=CC3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)/C=C/C3=CC(=C(C=C3)Cl)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H19Cl2N3O2/c1-30-21-10-6-5-9-18(21)23(17-7-3-2-4-8-17)29-24(25(30)32)28-22(31)14-12-16-11-13-19(26)20(27)15-16/h2-15,24H,1H3,(H,28,31)/b14-12+