2-methyl-1-(3-methylbutyl)-5-propyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide

Systemtic Name: 2-methyl-1-(3-methylbutyl)-5-propyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide Openeye Name: 1-isopentyl-2-methyl-5-propyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide CAS Name: 2-methyl-1-(3-methylbutyl)-5-propyl-4-[4-(trifluoromethyl)phenyl]-3-pyrrolecarboxamide IUPAC Name: 2-methyl-1-(3-methylbutyl)-5-propyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide Traditional Name: 1-isoamyl-2-methyl-5-propyl-4-[4-(trifluoromethyl)phenyl]pyrrole-3-carboxamide Formula: C21H27F3N2O MolecularWeight: 380.44709

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C21H27F3N2O/c1-5-6-17-19(15-7-9-16(10-8-15)21(22,23)24)18(20(25)27)14(4)26(17)12-11-13(2)3/h7-10,13H,5-6,11-12H2,1-4H3,(H2,25,27)