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

Systemtic Name: 4-(4-chlorophenyl)carbonyl-2-oxidanylidene-1-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid Openeye Name: 4-(4-chlorobenzoyl)-2-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-2-oxo-1-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid IUPAC Name: 4-(4-chlorobenzoyl)-2-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid Traditional Name: 4-(4-chlorobenzoyl)-2-keto-1-[4-(pyrrolidine-1-carbonyl)benzyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxylic acid Formula: C29H26ClN3O5 MolecularWeight: 531.98684

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=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

C1CCN(C1)C(=O)C2=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/C29H26ClN3O5/c30-24-11-9-21(10-12-24)28(36)32-17-23-8-7-22(29(37)38)15-25(23)33(26(34)18-32)16-19-3-5-20(6-4-19)27(35)31-13-1-2-14-31/h3-12,15H,1-2,13-14,16-18H2,(H,37,38)