4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide

Systemtic Name: 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide Openeye Name: 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide CAS Name: 4-(2-ethyl-1-oxobutyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide IUPAC Name: 4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide Traditional Name: 4-(2-ethylbutanoyl)-N-(4-fluorobenzyl)-1H-pyrrole-2-carboxamide Formula: C18H21FN2O2 MolecularWeight: 316.369943

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CCC(CC)C(=O)C1=CNC(=C1)C(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H21FN2O2/c1-3-13(4-2)17(22)14-9-16(20-11-14)18(23)21-10-12-5-7-15(19)8-6-12/h5-9,11,13,20H,3-4,10H2,1-2H3,(H,21,23)