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

Systemtic Name: 3-(1-ethyl-6,8-dimethoxy-2-oxidanylidene-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-(1-ethyl-6,8-dimethoxy-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile CAS Name: 3-(1-ethyl-6,8-dimethoxy-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile IUPAC Name: 3-(1-ethyl-6,8-dimethoxy-2-oxo-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-(1-ethyl-2-keto-6,8-dimethoxy-7-phenyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C26H23N3O3 MolecularWeight: 425.47912

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CN=C(C2=C(C(=C(C=C21)OC)C3=CC=CC=C3)OC)C4=CC=CC(=C4)C#N

Isomeric SMILES

CCN1C(=O)CN=C(C2=C(C(=C(C=C21)OC)C3=CC=CC=C3)OC)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H23N3O3/c1-4-29-20-14-21(31-2)23(18-10-6-5-7-11-18)26(32-3)24(20)25(28-16-22(29)30)19-12-8-9-17(13-19)15-27/h5-14H,4,16H2,1-3H3