4-(2,4-dimethoxyphenyl)-N-[2-fluoranyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

Systemtic Name: 4-(2,4-dimethoxyphenyl)-N-[2-fluoranyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Openeye Name: 4-(2,4-dimethoxyphenyl)-N-[2-fluoro-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide CAS Name: 4-(2,4-dimethoxyphenyl)-N-[2-fluoro-3-(trifluoromethyl)phenyl]-1-piperazinecarboxamide IUPAC Name: 4-(2,4-dimethoxyphenyl)-N-[2-fluoro-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Traditional Name: 4-(2,4-dimethoxyphenyl)-N-[2-fluoro-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide Formula: C20H21F4N3O3 MolecularWeight: 427.392653

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3F)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC=CC(=C3F)C(F)(F)F)OC

InChI

InChI=1S/C20H21F4N3O3/c1-29-13-6-7-16(17(12-13)30-2)26-8-10-27(11-9-26)19(28)25-15-5-3-4-14(18(15)21)20(22,23)24/h3-7,12H,8-11H2,1-2H3,(H,25,28)