2-[4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol

Systemtic Name: 2-[4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol Openeye Name: 2-[4-[[1-(p-tolyl)pyrazol-4-yl]methyl]-1-(2-thienylmethyl)piperazin-2-yl]ethanol CAS Name: 2-[4-[[1-(4-methylphenyl)-4-pyrazolyl]methyl]-1-(thiophen-2-ylmethyl)-2-piperazinyl]ethanol IUPAC Name: 2-[4-[[1-(4-methylphenyl)pyrazol-4-yl]methyl]-1-(thiophen-2-ylmethyl)piperazin-2-yl]ethanol Traditional Name: 2-[4-[[1-(p-tolyl)pyrazol-4-yl]methyl]-1-(2-thenyl)piperazin-2-yl]ethanol Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C=C(C=N2)CN3CCN(C(C3)CCO)CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C=C(C=N2)CN3CCN(C(C3)CCO)CC4=CC=CS4

InChI

InChI=1S/C22H28N4OS/c1-18-4-6-20(7-5-18)26-15-19(13-23-26)14-24-9-10-25(21(16-24)8-11-27)17-22-3-2-12-28-22/h2-7,12-13,15,21,27H,8-11,14,16-17H2,1H3