5-butyl-1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methyl-pyrrole-3-carboxamide

Systemtic Name: 5-butyl-1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methyl-pyrrole-3-carboxamide Openeye Name: 5-butyl-1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methyl-pyrrole-3-carboxamide CAS Name: 5-butyl-1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methyl-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methylpyrrole-3-carboxamide Traditional Name: 5-butyl-1-(3,3-dimethylbutyl)-4-(3-fluorophenyl)-2-methyl-pyrrole-3-carboxamide Formula: C22H31FN2O MolecularWeight: 358.492743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CCC(C)(C)C)C)C(=O)N)C2=CC(=CC=C2)F

Isomeric SMILES

CCCCC1=C(C(=C(N1CCC(C)(C)C)C)C(=O)N)C2=CC(=CC=C2)F

InChI

InChI=1S/C22H31FN2O/c1-6-7-11-18-20(16-9-8-10-17(23)14-16)19(21(24)26)15(2)25(18)13-12-22(3,4)5/h8-10,14H,6-7,11-13H2,1-5H3,(H2,24,26)