4-[[3-methyl-5-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]-N-pyridin-3-yl-piperazine-1-carboxamide

Systemtic Name: 4-[[3-methyl-5-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]-N-pyridin-3-yl-piperazine-1-carboxamide Openeye Name: 4-[[3-methyl-5-(trifluoromethyl)benzothiophen-2-yl]methyl]-N-(3-pyridyl)piperazine-1-carboxamide CAS Name: 4-[[3-methyl-5-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]-N-(3-pyridinyl)-1-piperazinecarboxamide IUPAC Name: 4-[[3-methyl-5-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide Traditional Name: 4-[[3-methyl-5-(trifluoromethyl)benzothiophen-2-yl]methyl]-N-(3-pyridyl)piperazine-1-carboxamide Formula: C21H21F3N4OS MolecularWeight: 434.47785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)C(F)(F)F)CN3CCN(CC3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)C(F)(F)F)CN3CCN(CC3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C21H21F3N4OS/c1-14-17-11-15(21(22,23)24)4-5-18(17)30-19(14)13-27-7-9-28(10-8-27)20(29)26-16-3-2-6-25-12-16/h2-6,11-12H,7-10,13H2,1H3,(H,26,29)