(3R)-1-(2-chloranyl-4-ethoxy-phenyl)carbonyl-3-methyl-N-(2-oxidanylidenepiperidin-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide

Systemtic Name: (3R)-1-(2-chloranyl-4-ethoxy-phenyl)carbonyl-3-methyl-N-(2-oxidanylidenepiperidin-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Openeye Name: (3R)-1-(2-chloro-4-ethoxy-benzoyl)-3-methyl-N-(2-oxo-3-piperidyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide CAS Name: (3R)-1-[(2-chloro-4-ethoxyphenyl)-oxomethyl]-3-methyl-N-(2-oxo-3-piperidinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide IUPAC Name: (3R)-1-(2-chloro-4-ethoxybenzoyl)-3-methyl-N-(2-oxopiperidin-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Traditional Name: (3R)-1-(2-chloro-4-ethoxy-benzoyl)-N-(2-keto-3-piperidyl)-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Formula: C25H29ClN4O4 MolecularWeight: 484.97516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)C(=O)N2CC(N(CC3=CC=CC=C32)C(=O)NC4CCCNC4=O)C)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)N2C[C@H](N(CC3=CC=CC=C32)C(=O)NC4CCCNC4=O)C)Cl

InChI

InChI=1S/C25H29ClN4O4/c1-3-34-18-10-11-19(20(26)13-18)24(32)30-14-16(2)29(15-17-7-4-5-9-22(17)30)25(33)28-21-8-6-12-27-23(21)31/h4-5,7,9-11,13,16,21H,3,6,8,12,14-15H2,1-2H3,(H,27,31)(H,28,33)/t16-,21?/m1/s1