1-[4-[2-(2,5-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[2-(2,5-dimethylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-(2,5-dimethylphenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-(2,5-dimethylphenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-(2,5-dimethylphenyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazino]ethanone Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=CC(=N2)C3=CC=CS3)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C22H24N4O2S/c1-15-6-7-16(2)19(13-15)26-20(14-18(23-26)21-5-4-12-29-21)22(28)25-10-8-24(9-11-25)17(3)27/h4-7,12-14H,8-11H2,1-3H3