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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC2=C(C(=C)NC3=CC=CC=C3N2)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC2=C(C(=C)NC3=CC=CC=C3N2)C(=O)OCC

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/h6-13,23-24H,3-5H2,1-2H3,(H,25,26)