3-[(8-ethoxy-7-methoxy-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzenecarbonitrile

Systemtic Name: 3-[(8-ethoxy-7-methoxy-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzenecarbonitrile Openeye Name: 3-[(8-ethoxy-7-methoxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzonitrile CAS Name: 3-[(8-ethoxy-7-methoxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzonitrile IUPAC Name: 3-[(8-ethoxy-7-methoxy-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzonitrile Traditional Name: 3-[(8-ethoxy-2-keto-7-methoxy-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl)methyl]benzonitrile Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)N(C(=O)C(N=C2C3=CC=CC=C3)CC4=CC=CC(=C4)C#N)C)OC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)N(C(=O)C(N=C2C3=CC=CC=C3)CC4=CC=CC(=C4)C#N)C)OC

InChI

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