N-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide

Systemtic Name: N-[5-chloranyl-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide Openeye Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide CAS Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)-1-piperazinecarboxamide IUPAC Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide Traditional Name: N-[5-chloro-2-(trifluoromethyl)-1,3-benzodioxol-2-yl]-4-(4-methoxyphenyl)piperazine-1-carboxamide Formula: C20H19ClF3N3O4 MolecularWeight: 457.83077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3(OC4=C(O3)C=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)NC3(OC4=C(O3)C=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C20H19ClF3N3O4/c1-29-15-5-3-14(4-6-15)26-8-10-27(11-9-26)18(28)25-20(19(22,23)24)30-16-7-2-13(21)12-17(16)31-20/h2-7,12H,8-11H2,1H3,(H,25,28)