2-(1-ethyl-7,8-dimethoxy-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)ethanenitrile

Systemtic Name: 2-(1-ethyl-7,8-dimethoxy-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl)ethanenitrile Openeye Name: 2-(1-ethyl-7,8-dimethoxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetonitrile CAS Name: 2-(1-ethyl-7,8-dimethoxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetonitrile IUPAC Name: 2-(1-ethyl-7,8-dimethoxy-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetonitrile Traditional Name: 2-(1-ethyl-2-keto-7,8-dimethoxy-5-phenyl-3H-1,4-benzodiazepin-3-yl)acetonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC(=C(C=C2C(=NC(C1=O)CC#N)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CCN1C2=CC(=C(C=C2C(=NC(C1=O)CC#N)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H21N3O3/c1-4-24-17-13-19(27-3)18(26-2)12-15(17)20(14-8-6-5-7-9-14)23-16(10-11-22)21(24)25/h5-9,12-13,16H,4,10H2,1-3H3