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

Systemtic Name: 1-(2-methylpiperidin-1-yl)-2-[4-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 2-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazin-1-yl]-1-(2-methyl-1-piperidyl)ethanone CAS Name: 1-(2-methyl-1-piperidinyl)-2-[4-[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[4-(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 2-[4-[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]piperazino]-1-(2-methylpiperidino)ethanone Formula: C27H33N5O2S MolecularWeight: 491.64822

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

Isomeric SMILES

CC1CCCCN1C(=O)CN2CCN(CC2)C(=O)C3=CN(N=C3C4=CC=CS4)CC5=CC=CC=C5

InChI

InChI=1S/C27H33N5O2S/c1-21-8-5-6-12-32(21)25(33)20-29-13-15-30(16-14-29)27(34)23-19-31(18-22-9-3-2-4-10-22)28-26(23)24-11-7-17-35-24/h2-4,7,9-11,17,19,21H,5-6,8,12-16,18,20H2,1H3