N-[4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-yl]pyridine-3-carboxamide trihydrochloride

Systemtic Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-yl]pyridine-3-carboxamide trihydrochloride Openeye Name: N-[3-[4-(4-fluorophenyl)piperazin-1-yl]-1-methyl-propyl]pyridine-3-carboxamide trihydrochloride CAS Name: N-[4-[4-(4-fluorophenyl)-1-piperazinyl]butan-2-yl]-3-pyridinecarboxamide trihydrochloride IUPAC Name: N-[4-[4-(4-fluorophenyl)piperazin-1-yl]butan-2-yl]pyridine-3-carboxamide trihydrochloride Traditional Name: N-[3-[4-(4-fluorophenyl)piperazino]-1-methyl-propyl]nicotinamide trihydrochloride Formula: C20H28Cl3FN4O MolecularWeight: 465.819923

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)C3=CN=CC=C3.Cl.Cl.Cl

Isomeric SMILES

CC(CCN1CCN(CC1)C2=CC=C(C=C2)F)NC(=O)C3=CN=CC=C3.Cl.Cl.Cl

InChI

InChI=1S/C20H25FN4O.3ClH/c1-16(23-20(26)17-3-2-9-22-15-17)8-10-24-11-13-25(14-12-24)19-6-4-18(21)5-7-19;;;/h2-7,9,15-16H,8,10-14H2,1H3,(H,23,26);3*1H