N-[3-cyano-4-(4-fluorophenyl)-5-methyl-thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide

Systemtic Name: N-[3-cyano-4-(4-fluorophenyl)-5-methyl-thiophen-2-yl]-1-ethanoyl-piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thiophenyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[3-cyano-4-(4-fluorophenyl)-5-methylthiophen-2-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[3-cyano-4-(4-fluorophenyl)-5-methyl-2-thienyl]isonipecotamide Formula: C20H20FN3O2S MolecularWeight: 385.455103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2CCN(CC2)C(=O)C)C#N)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2CCN(CC2)C(=O)C)C#N)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O2S/c1-12-18(14-3-5-16(21)6-4-14)17(11-22)20(27-12)23-19(26)15-7-9-24(10-8-15)13(2)25/h3-6,15H,7-10H2,1-2H3,(H,23,26)