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

Systemtic Name: 1-[4-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazino]phenyl]ethanone Formula: C27H26N4O2S MolecularWeight: 470.58594

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N4O2S/c1-20(32)22-9-11-23(12-10-22)29-13-15-30(16-14-29)27(33)24-19-31(18-21-6-3-2-4-7-21)28-26(24)25-8-5-17-34-25/h2-12,17,19H,13-16,18H2,1H3