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

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-[(4-fluorophenyl)methyl]-5-oxidanylidene-3H-1,4-benzodiazepine-3-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-[(4-fluorophenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-[(4-fluorophenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-[(4-fluorophenyl)methyl]-5-oxo-3H-1,4-benzodiazepine-3-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-cyclohexyl-4-(4-fluorobenzyl)-5-keto-3H-1,4-benzodiazepine-3-carboxamide Formula: C30H28FN3O4 MolecularWeight: 513.559423

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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)F)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CCC(CC1)NC(=O)C2C(=NC3=CC=CC=C3C(=O)N2CC4=CC=C(C=C4)F)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H28FN3O4/c31-21-13-10-19(11-14-21)17-34-28(29(35)32-22-6-2-1-3-7-22)27(20-12-15-25-26(16-20)38-18-37-25)33-24-9-5-4-8-23(24)30(34)36/h4-5,8-16,22,28H,1-3,6-7,17-18H2,(H,32,35)