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

Systemtic Name: ethyl 4-[(4-ethylphenyl)carbonylamino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[(4-ethylbenzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[(4-ethylphenyl)-oxomethyl]amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethylbenzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[(4-ethylbenzoyl)amino]-2-methyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C22H23N3O3 MolecularWeight: 377.43632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3NC(=C2C(=O)OCC)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=NC3=CC=CC=C3NC(=C2C(=O)OCC)C

InChI

InChI=1S/C22H23N3O3/c1-4-15-10-12-16(13-11-15)21(26)25-20-19(22(27)28-5-2)14(3)23-17-8-6-7-9-18(17)24-20/h6-13,23H,4-5H2,1-3H3,(H,24,25,26)