ethyl 4-(3-acetamidopropanoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-(3-acetamidopropanoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-(3-acetamidopropanoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[(3-acetamido-1-oxopropyl)amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-acetamidopropanoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(3-acetamidopropanoylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C19H24N4O4 MolecularWeight: 372.41826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O4/c1-4-13-17(19(26)27-5-2)18(23-16(25)10-11-20-12(3)24)22-15-9-7-6-8-14(15)21-13/h6-9,21H,4-5,10-11H2,1-3H3,(H,20,24)(H,22,23,25)