4-[(4-chlorophenyl)methyl]-N-cyclohexyl-2-(4-fluorophenyl)-5-oxidanylidene-3H-1,4-benzodiazepine-3-carboxamide

Systemtic Name: 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-2-(4-fluorophenyl)-5-oxidanylidene-3H-1,4-benzodiazepine-3-carboxamide Openeye Name: 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-2-(4-fluorophenyl)-5-oxo-3H-1,4-benzodiazepine-3-carboxamide CAS Name: 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-2-(4-fluorophenyl)-5-oxo-3H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 4-[(4-chlorophenyl)methyl]-N-cyclohexyl-2-(4-fluorophenyl)-5-oxo-3H-1,4-benzodiazepine-3-carboxamide Traditional Name: 4-(4-chlorobenzyl)-N-cyclohexyl-2-(4-fluorophenyl)-5-keto-3H-1,4-benzodiazepine-3-carboxamide Formula: C29H27ClFN3O2 MolecularWeight: 503.994983

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2C(=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)NC(=O)C2C(=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H27ClFN3O2/c30-21-14-10-19(11-15-21)18-34-27(28(35)32-23-6-2-1-3-7-23)26(20-12-16-22(31)17-13-20)33-25-9-5-4-8-24(25)29(34)36/h4-5,8-17,23,27H,1-3,6-7,18H2,(H,32,35)