2-butyl-3-(cyclobutylmethyl)-N'-[2-oxidanylidene-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-3-yl]butanediamide

Systemtic Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxidanylidene-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-3-yl]butanediamide Openeye Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxo-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-3-yl]butanediamide CAS Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxo-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]-3-azepanyl]butanediamide IUPAC Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-oxo-1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methyl]azepan-3-yl]butanediamide Traditional Name: 2-butyl-3-(cyclobutylmethyl)-N'-[2-keto-1-[3-[4-(trifluoromethyl)phenyl]benzyl]azepan-3-yl]succinamide Formula: C33H42F3N3O3 MolecularWeight: 585.70009

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1CCC1)C(=O)NC2CCCCN(C2=O)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(F)(F)F)C(=O)N

Isomeric SMILES

CCCCC(C(CC1CCC1)C(=O)NC2CCCCN(C2=O)CC3=CC=CC(=C3)C4=CC=C(C=C4)C(F)(F)F)C(=O)N

InChI

InChI=1S/C33H42F3N3O3/c1-2-3-12-27(30(37)40)28(20-22-8-6-9-22)31(41)38-29-13-4-5-18-39(32(29)42)21-23-10-7-11-25(19-23)24-14-16-26(17-15-24)33(34,35)36/h7,10-11,14-17,19,22,27-29H,2-6,8-9,12-13,18,20-21H2,1H3,(H2,37,40)(H,38,41)