1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]-3-pyrrolecarboxamide IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-5-butyl-2-methyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide Traditional Name: 5-butyl-2-methyl-1-piperonyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide Formula: C25H25F3N2O3 MolecularWeight: 458.47281

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C25H25F3N2O3/c1-3-4-5-19-23(17-7-9-18(10-8-17)25(26,27)28)22(24(29)31)15(2)30(19)13-16-6-11-20-21(12-16)33-14-32-20/h6-12H,3-5,13-14H2,1-2H3,(H2,29,31)