1-[2-(2,4-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[2-(2,4-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[2-(2,4-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[2-(2,4-dimethylphenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-(2,4-dimethylphenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[2-(2,4-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carbonyl]isonipecotamide Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)C(=O)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCC(CC4)C(=O)N)C

InChI

InChI=1S/C22H24N4O2S/c1-14-5-6-18(15(2)12-14)26-19(13-17(24-26)20-4-3-11-29-20)22(28)25-9-7-16(8-10-25)21(23)27/h3-6,11-13,16H,7-10H2,1-2H3,(H2,23,27)