ethyl 5-butanoyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate

Systemtic Name: ethyl 5-butanoyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate Openeye Name: ethyl 5-butanoyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate CAS Name: 4-methyl-5-(1-oxobutyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-butanoyl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylate Traditional Name: 5-butyryl-4-methyl-1,2,3,4-tetrahydro-1,5-benzodiazepine-2-carboxylic acid ethyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1C(CC(NC2=CC=CC=C21)C(=O)OCC)C

Isomeric SMILES

CCCC(=O)N1C(CC(NC2=CC=CC=C21)C(=O)OCC)C

InChI

InChI=1S/C17H24N2O3/c1-4-8-16(20)19-12(3)11-14(17(21)22-5-2)18-13-9-6-7-10-15(13)19/h6-7,9-10,12,14,18H,4-5,8,11H2,1-3H3