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

Systemtic Name: ethyl 4-[3-[(2-chlorophenyl)carbonylamino]propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-[3-[(2-chlorobenzoyl)amino]propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[3-[[(2-chlorophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-chlorobenzoyl)amino]propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-[3-[(2-chlorobenzoyl)amino]propanoylamino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C24H25ClN4O4 MolecularWeight: 468.9327

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CCNC(=O)C3=CC=CC=C3Cl)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)CCNC(=O)C3=CC=CC=C3Cl)C(=O)OCC

InChI

InChI=1S/C24H25ClN4O4/c1-3-17-21(24(32)33-4-2)22(28-19-12-8-7-11-18(19)27-17)29-20(30)13-14-26-23(31)15-9-5-6-10-16(15)25/h5-12,27H,3-4,13-14H2,1-2H3,(H,26,31)(H,28,29,30)