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

Systemtic Name: ethyl 4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(E)-3-(2,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[(E)-3-(2,4-dimethoxyphenyl)acryloyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)C=CC3=C(C=C(C=C3)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC2=CC=CC=C2N=C1NC(=O)/C=C/C3=C(C=C(C=C3)OC)OC)C

InChI

InChI=1S/C24H25N3O5/c1-5-32-24(29)22-15(2)25-18-8-6-7-9-19(18)26-23(22)27-21(28)13-11-16-10-12-17(30-3)14-20(16)31-4/h6-14,25H,5H2,1-4H3,(H,26,27,28)/b13-11+