4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazine-1-carboxamide

Systemtic Name: 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazine-1-carboxamide Openeye Name: 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazine-1-carboxamide CAS Name: 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-1-piperazinecarboxamide IUPAC Name: 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazine-1-carboxamide Traditional Name: 4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)-1,3-benzodioxol-2-yl]piperazine-1-carboxamide Formula: C20H20F3N3O4 MolecularWeight: 423.38571

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3(OC4=CC=CC=C4O3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O4/c1-28-15-8-6-14(7-9-15)25-10-12-26(13-11-25)18(27)24-20(19(21,22)23)29-16-4-2-3-5-17(16)30-20/h2-9H,10-13H2,1H3,(H,24,27)