N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)-1-piperazinecarboxamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(2,4-dimethoxyphenyl)piperazine-1-carboxamide Formula: C21H21F6N3O3 MolecularWeight: 477.400159

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC

Isomeric SMILES

COC1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)OC

InChI

InChI=1S/C21H21F6N3O3/c1-32-16-3-4-17(18(12-16)33-2)29-5-7-30(8-6-29)19(31)28-15-10-13(20(22,23)24)9-14(11-15)21(25,26)27/h3-4,9-12H,5-8H2,1-2H3,(H,28,31)