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

Systemtic Name: 1-[4-[2-(3-methylphenyl)-5-thiophen-2-yl-pyrazol-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[2-(m-tolyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[2-(3-methylphenyl)-5-thiophen-2-yl-3-pyrazolyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[2-(3-methylphenyl)-5-thiophen-2-ylpyrazole-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[2-(m-tolyl)-5-(2-thienyl)pyrazole-3-carbonyl]piperazino]ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O2S/c1-15-5-3-6-17(13-15)25-19(14-18(22-25)20-7-4-12-28-20)21(27)24-10-8-23(9-11-24)16(2)26/h3-7,12-14H,8-11H2,1-2H3