3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[[3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]methyl]azepan-3-yl]-2-propyl-butanediamide

Systemtic Name: 3-(2-methylpropyl)-N'-[2-oxidanylidene-1-[[3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]methyl]azepan-3-yl]-2-propyl-butanediamide Openeye Name: 3-isobutyl-N'-[2-oxo-1-[[3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]methyl]azepan-3-yl]-2-propyl-butanediamide CAS Name: 3-(2-methylpropyl)-N'-[2-oxo-1-[[3-[4-(trifluoromethyl)phenyl]-1-cyclohexa-2,4-dienyl]methyl]-3-azepanyl]-2-propylbutanediamide IUPAC Name: 3-(2-methylpropyl)-N'-[2-oxo-1-[[3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]methyl]azepan-3-yl]-2-propylbutanediamide Traditional Name: 3-isobutyl-N'-[2-keto-1-[[3-[4-(trifluoromethyl)phenyl]cyclohexa-2,4-dien-1-yl]methyl]azepan-3-yl]-2-propyl-succinamide Formula: C31H42F3N3O3 MolecularWeight: 561.67869

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)N

Isomeric SMILES

CCCC(C(CC(C)C)C(=O)NC1CCCCN(C1=O)CC2CC=CC(=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)N

InChI

InChI=1S/C31H42F3N3O3/c1-4-8-25(28(35)38)26(17-20(2)3)29(39)36-27-11-5-6-16-37(30(27)40)19-21-9-7-10-23(18-21)22-12-14-24(15-13-22)31(32,33)34/h7,10,12-15,18,20-21,25-27H,4-6,8-9,11,16-17,19H2,1-3H3,(H2,35,38)(H,36,39)