4-(4-chlorophenyl)carbonyl-2-oxidanylidene-1-[(4-piperidin-4-yloxyphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid

Systemtic Name: 4-(4-chlorophenyl)carbonyl-2-oxidanylidene-1-[(4-piperidin-4-yloxyphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid Openeye Name: 4-(4-chlorobenzoyl)-2-oxo-1-[[4-(4-piperidyloxy)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-2-oxo-1-[[4-(4-piperidinyloxy)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid IUPAC Name: 4-(4-chlorobenzoyl)-2-oxo-1-[(4-piperidin-4-yloxyphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid Traditional Name: 4-(4-chlorobenzoyl)-2-keto-1-[4-(4-piperidyloxy)benzyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid Formula: C29H28ClN3O5 MolecularWeight: 534.00272

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1OC2=CC=C(C=C2)CN3C(=O)CN(CC4=C3C=C(C=C4)C(=O)O)C(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CNCCC1OC2=CC=C(C=C2)CN3C(=O)CN(CC4=C3C=C(C=C4)C(=O)O)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H28ClN3O5/c30-23-7-5-20(6-8-23)28(35)32-17-22-4-3-21(29(36)37)15-26(22)33(27(34)18-32)16-19-1-9-24(10-2-19)38-25-11-13-31-14-12-25/h1-10,15,25,31H,11-14,16-18H2,(H,36,37)