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

Systemtic Name: N-cyclohexyl-2-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-oxidanylidene-3H-1,4-benzodiazepine-3-carboxamide Openeye Name: N-cyclohexyl-2-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide CAS Name: N-cyclohexyl-2-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide IUPAC Name: N-cyclohexyl-2-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide Traditional Name: N-cyclohexyl-2-(4-fluorophenyl)-5-keto-4-p-anisyl-3H-1,4-benzodiazepine-3-carboxamide Formula: C30H30FN3O3 MolecularWeight: 499.575903

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C(C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)F)C(=O)NC5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)CN2C(C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)F)C(=O)NC5CCCCC5

InChI

InChI=1S/C30H30FN3O3/c1-37-24-17-11-20(12-18-24)19-34-28(29(35)32-23-7-3-2-4-8-23)27(21-13-15-22(31)16-14-21)33-26-10-6-5-9-25(26)30(34)36/h5-6,9-18,23,28H,2-4,7-8,19H2,1H3,(H,32,35)