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

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-4-(4-cyanophenyl)-2-methyl-5-pentyl-pyrrole-3-carboxamide Openeye Name: 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-pentyl-pyrrole-3-carboxamide CAS Name: 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-pentyl-3-pyrrolecarboxamide IUPAC Name: 4-(4-cyanophenyl)-1-[(3,4-difluorophenyl)methyl]-2-methyl-5-pentylpyrrole-3-carboxamide Traditional Name: 5-amyl-4-(4-cyanophenyl)-1-(3,4-difluorobenzyl)-2-methyl-pyrrole-3-carboxamide Formula: C25H25F2N3O MolecularWeight: 421.482306

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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#N

Isomeric SMILES

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

InChI

InChI=1S/C25H25F2N3O/c1-3-4-5-6-22-24(19-10-7-17(14-28)8-11-19)23(25(29)31)16(2)30(22)15-18-9-12-20(26)21(27)13-18/h7-13H,3-6,15H2,1-2H3,(H2,29,31)