N-[6-[4-(3-methyl-2-oxidanyl-butyl)piperazin-1-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[6-[4-(3-methyl-2-oxidanyl-butyl)piperazin-1-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[6-[4-(2-hydroxy-3-methyl-butyl)piperazin-1-yl]-3-pyridyl]-3-(trifluoromethyl)benzamide CAS Name: N-[6-[4-(2-hydroxy-3-methylbutyl)-1-piperazinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[6-[4-(2-hydroxy-3-methylbutyl)piperazin-1-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[6-[4-(2-hydroxy-3-methyl-butyl)piperazino]-3-pyridyl]-3-(trifluoromethyl)benzamide Formula: C22H27F3N4O2 MolecularWeight: 436.47059

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)O

Isomeric SMILES

CC(C)C(CN1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)O

InChI

InChI=1S/C22H27F3N4O2/c1-15(2)19(30)14-28-8-10-29(11-9-28)20-7-6-18(13-26-20)27-21(31)16-4-3-5-17(12-16)22(23,24)25/h3-7,12-13,15,19,30H,8-11,14H2,1-2H3,(H,27,31)