ethyl 4-methyl-5-(1-oxidanyl-1-piperidin-1-yl-ethyl)-1,2-dihydro-1,5-benzodiazepine-2-carboxylate

Systemtic Name: ethyl 4-methyl-5-(1-oxidanyl-1-piperidin-1-yl-ethyl)-1,2-dihydro-1,5-benzodiazepine-2-carboxylate Openeye Name: ethyl 5-[1-hydroxy-1-(1-piperidyl)ethyl]-4-methyl-1,2-dihydro-1,5-benzodiazepine-2-carboxylate CAS Name: 5-[1-hydroxy-1-(1-piperidinyl)ethyl]-4-methyl-1,2-dihydro-1,5-benzodiazepine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1-hydroxy-1-piperidin-1-ylethyl)-4-methyl-1,2-dihydro-1,5-benzodiazepine-2-carboxylate Traditional Name: 5-(1-hydroxy-1-piperidino-ethyl)-4-methyl-1,2-dihydro-1,5-benzodiazepine-2-carboxylic acid ethyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C=C(N(C2=CC=CC=C2N1)C(C)(N3CCCCC3)O)C

Isomeric SMILES

CCOC(=O)C1C=C(N(C2=CC=CC=C2N1)C(C)(N3CCCCC3)O)C

InChI

InChI=1S/C20H29N3O3/c1-4-26-19(24)17-14-15(2)23(18-11-7-6-10-16(18)21-17)20(3,25)22-12-8-5-9-13-22/h6-7,10-11,14,17,21,25H,4-5,8-9,12-13H2,1-3H3