methyl 3-[(2-methylpiperidin-1-yl)methyl]-5-oxidanylidene-1,4-dihydro-1,4-benzodiazepine-2-carboxylate

Systemtic Name: methyl 3-[(2-methylpiperidin-1-yl)methyl]-5-oxidanylidene-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Openeye Name: methyl 3-[(2-methyl-1-piperidyl)methyl]-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate CAS Name: 3-[(2-methyl-1-piperidinyl)methyl]-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[(2-methylpiperidin-1-yl)methyl]-5-oxo-1,4-dihydro-1,4-benzodiazepine-2-carboxylate Traditional Name: 5-keto-3-[(2-methylpiperidino)methyl]-1,4-dihydro-1,4-benzodiazepine-2-carboxylic acid methyl ester Formula: C18H23N3O3 MolecularWeight: 329.39352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1CC2=C(NC3=CC=CC=C3C(=O)N2)C(=O)OC

Isomeric SMILES

CC1CCCCN1CC2=C(NC3=CC=CC=C3C(=O)N2)C(=O)OC

InChI

InChI=1S/C18H23N3O3/c1-12-7-5-6-10-21(12)11-15-16(18(23)24-2)19-14-9-4-3-8-13(14)17(22)20-15/h3-4,8-9,12,19H,5-7,10-11H2,1-2H3,(H,20,22)