ethyl (3R)-2-methylidene-4-[(2-methylphenyl)carbonylamino]-1,3-dihydro-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl (3R)-2-methylidene-4-[(2-methylphenyl)carbonylamino]-1,3-dihydro-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl (3R)-4-[(2-methylbenzoyl)amino]-2-methylene-1,3-dihydro-1,5-benzodiazepine-3-carboxylate CAS Name: (3R)-2-methylene-4-[[(2-methylphenyl)-oxomethyl]amino]-1,3-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl (3R)-4-[(2-methylbenzoyl)amino]-2-methylidene-1,3-dihydro-1,5-benzodiazepine-3-carboxylate Traditional Name: (3R)-2-methylene-4-(o-toluoylamino)-1,3-dihydro-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C21H21N3O3 MolecularWeight: 363.40974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(=C)NC2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)[C@@H]1C(=C)NC2=CC=CC=C2N=C1NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H21N3O3/c1-4-27-21(26)18-14(3)22-16-11-7-8-12-17(16)23-19(18)24-20(25)15-10-6-5-9-13(15)2/h5-12,18,22H,3-4H2,1-2H3,(H,23,24,25)/t18-/m1/s1