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

Systemtic Name: ethyl 4-(cyclobutylcarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-(cyclobutanecarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-[[cyclobutyl(oxo)methyl]amino]-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclobutanecarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-(cyclobutanecarbonylamino)-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3CCC3)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)NC(=O)C3CCC3)C(=O)OCC

InChI

InChI=1S/C19H23N3O3/c1-3-13-16(19(24)25-4-2)17(22-18(23)12-8-7-9-12)21-15-11-6-5-10-14(15)20-13/h5-6,10-12,20H,3-4,7-9H2,1-2H3,(H,21,22,23)