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

Systemtic Name: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxidanylidene-3H-1,4-benzodiazepine-3-carboxamide Openeye Name: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxo-3H-1,4-benzodiazepine-3-carboxamide CAS Name: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxo-3H-1,4-benzodiazepine-3-carboxamide IUPAC Name: N-cyclohexyl-4-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-5-oxo-3H-1,4-benzodiazepine-3-carboxamide Traditional Name: N-cyclohexyl-4-(4-fluorobenzyl)-5-keto-2-(4-methoxyphenyl)-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)C2=NC3=CC=CC=C3C(=O)N(C2C(=O)NC4CCCCC4)CC5=CC=C(C=C5)F

Isomeric SMILES

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

InChI

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