(3R)-1-(2-chloranyl-4-propoxy-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-propoxy-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-propoxy-benzoyl)-3-methyl-N-(2-oxo-3-piperidyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide CAS Name: (3R)-1-[(2-chloro-4-propoxyphenyl)-oxomethyl]-3-methyl-N-(2-oxo-3-piperidinyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide IUPAC Name: (3R)-1-(2-chloro-4-propoxybenzoyl)-3-methyl-N-(2-oxopiperidin-3-yl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Traditional Name: (3R)-1-(2-chloro-4-propoxy-benzoyl)-N-(2-keto-3-piperidyl)-3-methyl-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxamide Formula: C26H31ClN4O4 MolecularWeight: 499.00174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C(=O)N2CC(N(CC3=CC=CC=C32)C(=O)NC4CCCNC4=O)C)Cl

Isomeric SMILES

CCCOC1=CC(=C(C=C1)C(=O)N2C[C@H](N(CC3=CC=CC=C32)C(=O)NC4CCCNC4=O)C)Cl

InChI

InChI=1S/C26H31ClN4O4/c1-3-13-35-19-10-11-20(21(27)14-19)25(33)31-15-17(2)30(16-18-7-4-5-9-23(18)31)26(34)29-22-8-6-12-28-24(22)32/h4-5,7,9-11,14,17,22H,3,6,8,12-13,15-16H2,1-2H3,(H,28,32)(H,29,34)/t17-,22?/m1/s1