3-[7,8-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile

Systemtic Name: 3-[7,8-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxidanylidene-3H-1,4-benzodiazepin-5-yl]benzenecarbonitrile Openeye Name: 3-[7,8-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile CAS Name: 3-[7,8-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile IUPAC Name: 3-[7,8-dimethoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-1,4-benzodiazepin-5-yl]benzonitrile Traditional Name: 3-(2-keto-7,8-dimethoxy-1-p-anisyl-3H-1,4-benzodiazepin-5-yl)benzonitrile Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(=O)CN=C(C3=CC(=C(C=C32)OC)OC)C4=CC=CC(=C4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(=O)CN=C(C3=CC(=C(C=C32)OC)OC)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C26H23N3O4/c1-31-20-9-7-17(8-10-20)16-29-22-13-24(33-3)23(32-2)12-21(22)26(28-15-25(29)30)19-6-4-5-18(11-19)14-27/h4-13H,15-16H2,1-3H3