3-[6,8-dimethoxy-2-oxidanylidene-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[6,8-dimethoxy-2-oxidanylidene-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[6,8-dimethoxy-2-oxo-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[6,8-dimethoxy-2-oxo-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[6,8-dimethoxy-2-oxo-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-[2-keto-6,8-dimethoxy-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzonitrile Formula: C33H29N3O3 MolecularWeight: 515.60166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)N(C(=O)CN=C2C3=CC=CC(=C3)C#N)CCCC4=CC=CC=C4)OC)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C(=C2C(=C1)N(C(=O)CN=C2C3=CC=CC(=C3)C#N)CCCC4=CC=CC=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C33H29N3O3/c1-38-28-20-27-31(33(39-2)30(28)25-15-7-4-8-16-25)32(26-17-9-13-24(19-26)21-34)35-22-29(37)36(27)18-10-14-23-11-5-3-6-12-23/h3-9,11-13,15-17,19-20H,10,14,18,22H2,1-2H3