4-(4-bromophenyl)-2-methyl-1-(3-methylbutyl)-5-pentyl-pyrrole-3-carboxamide

Systemtic Name: 4-(4-bromophenyl)-2-methyl-1-(3-methylbutyl)-5-pentyl-pyrrole-3-carboxamide Openeye Name: 4-(4-bromophenyl)-1-isopentyl-2-methyl-5-pentyl-pyrrole-3-carboxamide CAS Name: 4-(4-bromophenyl)-2-methyl-1-(3-methylbutyl)-5-pentyl-3-pyrrolecarboxamide IUPAC Name: 4-(4-bromophenyl)-2-methyl-1-(3-methylbutyl)-5-pentylpyrrole-3-carboxamide Traditional Name: 5-amyl-4-(4-bromophenyl)-1-isoamyl-2-methyl-pyrrole-3-carboxamide Formula: C22H31BrN2O MolecularWeight: 419.39834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCC1=C(C(=C(N1CCC(C)C)C)C(=O)N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C22H31BrN2O/c1-5-6-7-8-19-21(17-9-11-18(23)12-10-17)20(22(24)26)16(4)25(19)14-13-15(2)3/h9-12,15H,5-8,13-14H2,1-4H3,(H2,24,26)