1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine-4-carboxamide

Systemtic Name: 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine-4-carboxamide Openeye Name: 1-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[3-(2,5-dimethyl-3-thiophenyl)-1-(2-fluorophenyl)-4-pyrazolyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]piperidine-4-carboxamide Traditional Name: 1-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]isonipecotamide Formula: C22H25FN4OS MolecularWeight: 412.523503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NN(C=C2CN3CCC(CC3)C(=O)N)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NN(C=C2CN3CCC(CC3)C(=O)N)C4=CC=CC=C4F

InChI

InChI=1S/C22H25FN4OS/c1-14-11-18(15(2)29-14)21-17(12-26-9-7-16(8-10-26)22(24)28)13-27(25-21)20-6-4-3-5-19(20)23/h3-6,11,13,16H,7-10,12H2,1-2H3,(H2,24,28)