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

Systemtic Name: N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-5-oxidanylidene-3H-1,4-benzodiazepine-3-carboxamide Openeye Name: N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide CAS Name: N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide IUPAC Name: N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-[(4-fluorophenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide Traditional Name: N-cyclohexyl-2-(3,4-dimethoxyphenyl)-4-(4-fluorobenzyl)-5-keto-3H-1,4-benzodiazepine-3-carboxamide Formula: C31H32FN3O4 MolecularWeight: 529.601883

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N(C2C(=O)NC4CCCCC4)CC5=CC=C(C=C5)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=O)N(C2C(=O)NC4CCCCC4)CC5=CC=C(C=C5)F)OC

InChI

InChI=1S/C31H32FN3O4/c1-38-26-17-14-21(18-27(26)39-2)28-29(30(36)33-23-8-4-3-5-9-23)35(19-20-12-15-22(32)16-13-20)31(37)24-10-6-7-11-25(24)34-28/h6-7,10-18,23,29H,3-5,8-9,19H2,1-2H3,(H,33,36)