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

Systemtic Name: 4-[(3-methoxy-4-oxidanyl-phenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-[(4-hydroxy-3-methoxy-phenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: N-[3-(trifluoromethyl)phenyl]-4-vanillyl-piperazine-1-carboxamide Formula: C20H22F3N3O3 MolecularWeight: 409.40219

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O

InChI

InChI=1S/C20H22F3N3O3/c1-29-18-11-14(5-6-17(18)27)13-25-7-9-26(10-8-25)19(28)24-16-4-2-3-15(12-16)20(21,22)23/h2-6,11-12,27H,7-10,13H2,1H3,(H,24,28)