1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione

Systemtic Name: 1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione Openeye Name: 1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione CAS Name: 1-[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione IUPAC Name: 1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-methyl-3H-1,4-benzodiazepine-2,5-dione Traditional Name: 1-[(E)-3-(3,4-dimethoxyphenyl)acryloyl]-4-methyl-3H-1,4-benzodiazepine-2,5-quinone Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(=O)N(C2=CC=CC=C2C1=O)C(=O)C=CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1CC(=O)N(C2=CC=CC=C2C1=O)C(=O)/C=C/C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H20N2O5/c1-22-13-20(25)23(16-7-5-4-6-15(16)21(22)26)19(24)11-9-14-8-10-17(27-2)18(12-14)28-3/h4-12H,13H2,1-3H3/b11-9+