1-[(2-cyclohexyl-2-oxidanyl-ethanoyl)amino]-N-[1-methyl-2-oxidanylidene-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]cyclopentane-1-carboxamide

Systemtic Name: 1-[(2-cyclohexyl-2-oxidanyl-ethanoyl)amino]-N-[1-methyl-2-oxidanylidene-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]cyclopentane-1-carboxamide Openeye Name: 1-[(2-cyclohexyl-2-hydroxy-acetyl)amino]-N-[1-methyl-2-oxo-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]cyclopentanecarboxamide CAS Name: 1-[(2-cyclohexyl-2-hydroxy-1-oxoethyl)amino]-N-[1-methyl-2-oxo-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]-1-cyclopentanecarboxamide IUPAC Name: 1-[(2-cyclohexyl-2-hydroxyacetyl)amino]-N-[1-methyl-2-oxo-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]cyclopentane-1-carboxamide Traditional Name: 1-[(2-cyclohexyl-2-hydroxy-acetyl)amino]-N-[2-keto-1-methyl-5-[4-(trifluoromethyl)phenyl]-3H-1,4-benzodiazepin-3-yl]cyclopentanecarboxamide Formula: C31H35F3N4O4 MolecularWeight: 584.62921

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCC3)NC(=O)C(C4CCCCC4)O)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

CN1C2=CC=CC=C2C(=NC(C1=O)NC(=O)C3(CCCC3)NC(=O)C(C4CCCCC4)O)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C31H35F3N4O4/c1-38-23-12-6-5-11-22(23)24(19-13-15-21(16-14-19)31(32,33)34)35-26(28(38)41)36-29(42)30(17-7-8-18-30)37-27(40)25(39)20-9-3-2-4-10-20/h5-6,11-16,20,25-26,39H,2-4,7-10,17-18H2,1H3,(H,36,42)(H,37,40)