N-(2-azanylcyclohexyl)-2-(4-fluorophenyl)-1-(3-methylbutanoyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

Systemtic Name: N-(2-azanylcyclohexyl)-2-(4-fluorophenyl)-1-(3-methylbutanoyl)-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Openeye Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-1-(3-methylbutanoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide CAS Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-1-(3-methyl-1-oxobutyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide IUPAC Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-1-(3-methylbutanoyl)-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Traditional Name: N-(2-aminocyclohexyl)-2-(4-fluorophenyl)-1-isovaleryl-4-keto-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide Formula: C27H33FN4O3 MolecularWeight: 480.574323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCCCC3N)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)CC(=O)N1C(CC(=O)NC2=C1C=CC(=C2)C(=O)NC3CCCCC3N)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H33FN4O3/c1-16(2)13-26(34)32-23-12-9-18(27(35)31-21-6-4-3-5-20(21)29)14-22(23)30-25(33)15-24(32)17-7-10-19(28)11-8-17/h7-12,14,16,20-21,24H,3-6,13,15,29H2,1-2H3,(H,30,33)(H,31,35)