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

Systemtic Name: 1-[[3,4-bis(fluoranyl)phenyl]methyl]-5-butyl-2-methyl-4-thiophen-3-yl-pyrrole-3-carboxamide Openeye Name: 5-butyl-1-[(3,4-difluorophenyl)methyl]-2-methyl-4-(3-thienyl)pyrrole-3-carboxamide CAS Name: 5-butyl-1-[(3,4-difluorophenyl)methyl]-2-methyl-4-(3-thiophenyl)-3-pyrrolecarboxamide IUPAC Name: 5-butyl-1-[(3,4-difluorophenyl)methyl]-2-methyl-4-thiophen-3-ylpyrrole-3-carboxamide Traditional Name: 5-butyl-1-(3,4-difluorobenzyl)-2-methyl-4-(3-thienyl)pyrrole-3-carboxamide Formula: C21H22F2N2OS MolecularWeight: 388.473986

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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=CSC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22F2N2OS/c1-3-4-5-18-20(15-8-9-27-12-15)19(21(24)26)13(2)25(18)11-14-6-7-16(22)17(23)10-14/h6-10,12H,3-5,11H2,1-2H3,(H2,24,26)