1-[[3,4-bis(fluoranyl)phenyl]methyl]-5-butyl-2-methyl-4-pyridin-3-yl-pyrrole-3-carboxamide

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-5-butyl-2-methyl-4-pyridin-3-yl-pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[(3,4-difluorophenyl)methyl]-2-methyl-4-(3-pyridyl)pyrrole-3-carboxamide CAS Name: 5-butyl-1-[(3,4-difluorophenyl)methyl]-2-methyl-4-(3-pyridinyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[(3,4-difluorophenyl)methyl]-2-methyl-4-pyridin-3-ylpyrrole-3-carboxamide Traditional Name: 5-butyl-1-(3,4-difluorobenzyl)-2-methyl-4-(3-pyridyl)pyrrole-3-carboxamide Formula: C22H23F2N3O MolecularWeight: 383.434326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(N1CC2=CC(=C(C=C2)F)F)C)C(=O)N)C3=CN=CC=C3

Isomeric SMILES

CCCCC1=C(C(=C(N1CC2=CC(=C(C=C2)F)F)C)C(=O)N)C3=CN=CC=C3

InChI

InChI=1S/C22H23F2N3O/c1-3-4-7-19-21(16-6-5-10-26-12-16)20(22(25)28)14(2)27(19)13-15-8-9-17(23)18(24)11-15/h5-6,8-12H,3-4,7,13H2,1-2H3,(H2,25,28)