1-(1,3-benzodioxol-5-ylmethyl)-5-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-[3,5-bis(trifluoromethyl)phenyl]-2-methylpyrrole-3-carboxamide Traditional Name: 5-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-1-piperonyl-pyrrole-3-carboxamide Formula: C22H16F6N2O3 MolecularWeight: 470.364459

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)N

Isomeric SMILES

CC1=C(C=C(N1CC2=CC3=C(C=C2)OCO3)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F)C(=O)N

InChI

InChI=1S/C22H16F6N2O3/c1-11-16(20(29)31)8-17(30(11)9-12-2-3-18-19(4-12)33-10-32-18)13-5-14(21(23,24)25)7-15(6-13)22(26,27)28/h2-8H,9-10H2,1H3,(H2,29,31)