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

Systemtic Name: 1-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]ethanone Traditional Name: 1-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazino]ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C21H22N4O2S/c1-16(26)23-9-11-24(12-10-23)21(27)18-15-25(14-17-6-3-2-4-7-17)22-20(18)19-8-5-13-28-19/h2-8,13,15H,9-12,14H2,1H3