ethyl 2-[5-(3-cyanophenyl)-7,8-dimethoxy-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[5-(3-cyanophenyl)-7,8-dimethoxy-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]ethanoate Openeye Name: ethyl 2-[5-(3-cyanophenyl)-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate CAS Name: 2-[5-(3-cyanophenyl)-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(3-cyanophenyl)-7,8-dimethoxy-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate Traditional Name: 2-[5-(3-cyanophenyl)-2-keto-7,8-dimethoxy-3H-1,4-benzodiazepin-1-yl]acetic acid ethyl ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)CN1C(=O)CN=C(C2=CC(=C(C=C21)OC)OC)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C22H21N3O5/c1-4-30-21(27)13-25-17-10-19(29-3)18(28-2)9-16(17)22(24-12-20(25)26)15-7-5-6-14(8-15)11-23/h5-10H,4,12-13H2,1-3H3