4-(4-chlorophenyl)carbonyl-N'-oxidanyl-2-oxidanylidene-1-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboximidamide

Systemtic Name: 4-(4-chlorophenyl)carbonyl-N'-oxidanyl-2-oxidanylidene-1-[(4-pyrrolidin-1-ylcarbonylphenyl)methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboximidamide Openeye Name: 4-(4-chlorobenzoyl)-N'-hydroxy-2-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxamidine CAS Name: 4-[(4-chlorophenyl)-oxomethyl]-N'-hydroxy-2-oxo-1-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboximidamide IUPAC Name: 4-(4-chlorobenzoyl)-N'-hydroxy-2-oxo-1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-3,5-dihydro-1,4-benzodiazepine-8-carboximidamide Traditional Name: 4-(4-chlorobenzoyl)-N'-hydroxy-2-keto-1-[4-(pyrrolidine-1-carbonyl)benzyl]-3,5-dihydro-1,4-benzodiazepine-8-carboxamidine Formula: C29H28ClN5O4 MolecularWeight: 546.01672

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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(=NO)N)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(=N\O)/N)C(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H28ClN5O4/c30-24-11-9-21(10-12-24)29(38)34-17-23-8-7-22(27(31)32-39)15-25(23)35(26(36)18-34)16-19-3-5-20(6-4-19)28(37)33-13-1-2-14-33/h3-12,15,39H,1-2,13-14,16-18H2,(H2,31,32)