ethyl 4-[2-(3,4-dichlorophenyl)ethanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-[2-(3,4-dichlorophenyl)ethanoylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[2-(3,4-dichlorophenyl)-1-oxoethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[[2-(3,4-dichlorophenyl)acetyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H19Cl2N3O3 MolecularWeight: 432.29986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19Cl2N3O3/c1-3-29-21(28)19-12(2)24-16-6-4-5-7-17(16)25-20(19)26-18(27)11-13-8-9-14(22)15(23)10-13/h4-10,24H,3,11H2,1-2H3,(H,25,26,27)