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

Systemtic Name: N-[6-[4-(2-oxidanylbutyl)piperazin-1-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-[6-[4-(2-hydroxybutyl)piperazin-1-yl]-3-pyridyl]-3-(trifluoromethyl)benzamide CAS Name: N-[6-[4-(2-hydroxybutyl)-1-piperazinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[6-[4-(2-hydroxybutyl)piperazin-1-yl]pyridin-3-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-[6-[4-(2-hydroxybutyl)piperazino]-3-pyridyl]-3-(trifluoromethyl)benzamide Formula: C21H25F3N4O2 MolecularWeight: 422.44401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25F3N4O2/c1-2-18(29)14-27-8-10-28(11-9-27)19-7-6-17(13-25-19)26-20(30)15-4-3-5-16(12-15)21(22,23)24/h3-7,12-13,18,29H,2,8-11,14H2,1H3,(H,26,30)