ethyl 4-[3-(3-chlorophenyl)prop-2-enoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[3-(3-chlorophenyl)prop-2-enoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[3-(3-chlorophenyl)prop-2-enoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[3-(3-chlorophenyl)-1-oxoprop-2-enyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-chlorophenyl)prop-2-enoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[3-(3-chlorophenyl)acryloyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3/c1-3-29-22(28)20-14(2)24-17-9-4-5-10-18(17)25-21(20)26-19(27)12-11-15-7-6-8-16(23)13-15/h4-13,24H,3H2,1-2H3,(H,25,26,27)