4-[(3,4-dimethoxy-5-oxidanyl-phenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-[(3,4-dimethoxy-5-oxidanyl-phenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-[(3-hydroxy-4,5-dimethoxy-phenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[(3-hydroxy-4,5-dimethoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(3-hydroxy-4,5-dimethoxy-benzyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C21H24F3N3O4 MolecularWeight: 439.42817

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)O)CN2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)O)CN2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O4/c1-30-18-11-14(10-17(28)19(18)31-2)13-26-6-8-27(9-7-26)20(29)25-16-5-3-4-15(12-16)21(22,23)24/h3-5,10-12,28H,6-9,13H2,1-2H3,(H,25,29)