3-(6,8-dimethoxy-2-oxidanylidene-7-pyridin-3-yl-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile

Systemtic Name: 3-(6,8-dimethoxy-2-oxidanylidene-7-pyridin-3-yl-1,3-dihydro-1,4-benzodiazepin-5-yl)benzenecarbonitrile Openeye Name: 3-[6,8-dimethoxy-2-oxo-7-(3-pyridyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[6,8-dimethoxy-2-oxo-7-(3-pyridinyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-(6,8-dimethoxy-2-oxo-7-pyridin-3-yl-1,3-dihydro-1,4-benzodiazepin-5-yl)benzonitrile Traditional Name: 3-[2-keto-6,8-dimethoxy-7-(3-pyridyl)-1,3-dihydro-1,4-benzodiazepin-5-yl]benzonitrile Formula: C23H18N4O3 MolecularWeight: 398.41402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)NC(=O)CN=C2C3=CC=CC(=C3)C#N)OC)C4=CN=CC=C4

Isomeric SMILES

COC1=C(C(=C2C(=C1)NC(=O)CN=C2C3=CC=CC(=C3)C#N)OC)C4=CN=CC=C4

InChI

InChI=1S/C23H18N4O3/c1-29-18-10-17-21(23(30-2)20(18)16-7-4-8-25-12-16)22(26-13-19(28)27-17)15-6-3-5-14(9-15)11-24/h3-10,12H,13H2,1-2H3,(H,27,28)