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

Systemtic Name: (3R)-1-(2-chloranyl-4-ethoxy-phenyl)carbonyl-3-methyl-N-(3-oxidanyl-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Openeye Name: (3R)-1-(2-chloro-4-ethoxy-benzoyl)-N-[1-(hydroxymethyl)-2-oxo-2-pyrrolidin-1-yl-ethyl]-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide CAS Name: (3R)-1-[(2-chloro-4-ethoxyphenyl)-oxomethyl]-N-[3-hydroxy-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide IUPAC Name: (3R)-1-(2-chloro-4-ethoxybenzoyl)-N-(3-hydroxy-1-oxo-1-pyrrolidin-1-ylpropan-2-yl)-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Traditional Name: (3R)-1-(2-chloro-4-ethoxy-benzoyl)-N-(2-keto-1-methylol-2-pyrrolidino-ethyl)-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Formula: C27H33ClN4O5 MolecularWeight: 529.02772

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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)NC(CO)C(=O)N4CCCC4)C)Cl

Isomeric SMILES

CCOC1=CC(=C(C=C1)C(=O)N2C[C@H](N(CC3=CC=CC=C32)C(=O)NC(CO)C(=O)N4CCCC4)C)Cl

InChI

InChI=1S/C27H33ClN4O5/c1-3-37-20-10-11-21(22(28)14-20)25(34)32-15-18(2)31(16-19-8-4-5-9-24(19)32)27(36)29-23(17-33)26(35)30-12-6-7-13-30/h4-5,8-11,14,18,23,33H,3,6-7,12-13,15-17H2,1-2H3,(H,29,36)/t18-,23?/m1/s1