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

Systemtic Name: 3-[6,8-dimethoxy-2-oxidanylidene-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzamide Openeye Name: 3-[6,8-dimethoxy-2-oxo-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzamide CAS Name: 3-[6,8-dimethoxy-2-oxo-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzamide IUPAC Name: 3-[6,8-dimethoxy-2-oxo-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzamide Traditional Name: 3-[2-keto-6,8-dimethoxy-7-phenyl-1-(3-phenylpropyl)-3H-1,4-benzodiazepin-5-yl]benzamide Formula: C33H31N3O4 MolecularWeight: 533.61694

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H31N3O4/c1-39-27-20-26-30(32(40-2)29(27)23-14-7-4-8-15-23)31(24-16-9-17-25(19-24)33(34)38)35-21-28(37)36(26)18-10-13-22-11-5-3-6-12-22/h3-9,11-12,14-17,19-20H,10,13,18,21H2,1-2H3,(H2,34,38)