1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-(4-tert-butylphenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-(4-tert-butylphenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide Openeye Name: 4-(4-tert-butylphenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-pentyl-pyrrole-3-carboxamide CAS Name: 4-(4-tert-butylphenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-pentyl-3-pyrrolecarboxamide IUPAC Name: 4-(4-tert-butylphenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide Traditional Name: 5-amyl-4-(4-tert-butylphenyl)-1-(3,4-difluorobenzyl)-2-methyl-pyrrole-3-carboxamide Formula: C28H34F2N2O MolecularWeight: 452.579166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(N1CC2=CC(=C(C=C2)F)F)C)C(=O)N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCC1=C(C(=C(N1CC2=CC(=C(C=C2)F)F)C)C(=O)N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C28H34F2N2O/c1-6-7-8-9-24-26(20-11-13-21(14-12-20)28(3,4)5)25(27(31)33)18(2)32(24)17-19-10-15-22(29)23(30)16-19/h10-16H,6-9,17H2,1-5H3,(H2,31,33)