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

Systemtic Name: 3-(6,8-dimethoxy-2-oxidanylidene-7-phenyl-1-propyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(6,8-dimethoxy-2-oxo-7-phenyl-1-propyl-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(6,8-dimethoxy-2-oxo-7-phenyl-1-propyl-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(6,8-dimethoxy-2-oxo-7-phenyl-1-propyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(2-keto-6,8-dimethoxy-7-phenyl-1-propyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)CN=C(C2=C(C(=C(C=C21)OC)C3=CC=CC=C3)OC)C4=CC=CC(=C4)C#N

Isomeric SMILES

CCCN1C(=O)CN=C(C2=C(C(=C(C=C21)OC)C3=CC=CC=C3)OC)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C27H25N3O3/c1-4-13-30-21-15-22(32-2)24(19-10-6-5-7-11-19)27(33-3)25(21)26(29-17-23(30)31)20-12-8-9-18(14-20)16-28/h5-12,14-15H,4,13,17H2,1-3H3