(phenylmethyl) 5-ethyl-3-(methylcarbamoylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carboxylate

Systemtic Name: (phenylmethyl) 5-ethyl-3-(methylcarbamoylamino)-4-oxidanylidene-2,3-dihydro-1,5-benzodiazepine-1-carboxylate Openeye Name: benzyl 5-ethyl-3-(methylcarbamoylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxylate CAS Name: 5-ethyl-3-(methylcarbamoylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-ethyl-3-(methylcarbamoylamino)-4-oxo-2,3-dihydro-1,5-benzodiazepine-1-carboxylate Traditional Name: 5-ethyl-4-keto-3-(methylcarbamoylamino)-2,3-dihydro-1,5-benzodiazepine-1-carboxylic acid benzyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCN1C2=CC=CC=C2N(CC(C1=O)NC(=O)NC)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O4/c1-3-24-17-11-7-8-12-18(17)25(13-16(19(24)26)23-20(27)22-2)21(28)29-14-15-9-5-4-6-10-15/h4-12,16H,3,13-14H2,1-2H3,(H2,22,23,27)