N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide

Systemtic Name: N-[(3-methoxy-4-oxidanyl-phenyl)methyl]-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Openeye Name: N-[(4-hydroxy-3-methoxy-phenyl)methyl]-4-[3-(trifluoromethyl)-2-pyridyl]piperazine-1-carboxamide CAS Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]-1-piperazinecarboxamide IUPAC Name: N-[(4-hydroxy-3-methoxyphenyl)methyl]-4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxamide Traditional Name: 4-[3-(trifluoromethyl)-2-pyridyl]-N-vanillyl-piperazine-1-carboxamide Formula: C19H21F3N4O3 MolecularWeight: 410.39025

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC(=O)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC(=O)N2CCN(CC2)C3=C(C=CC=N3)C(F)(F)F)O

InChI

InChI=1S/C19H21F3N4O3/c1-29-16-11-13(4-5-15(16)27)12-24-18(28)26-9-7-25(8-10-26)17-14(19(20,21)22)3-2-6-23-17/h2-6,11,27H,7-10,12H2,1H3,(H,24,28)