2-[4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol

Systemtic Name: 2-[4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol Openeye Name: 2-[4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(3-thienylmethyl)piperazin-2-yl]ethanol CAS Name: 2-[4-[(1-methyl-3-phenyl-4-pyrazolyl)methyl]-1-(3-thiophenylmethyl)-2-piperazinyl]ethanol IUPAC Name: 2-[4-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol Traditional Name: 2-[4-[(1-methyl-3-phenyl-pyrazol-4-yl)methyl]-1-(3-thenyl)piperazin-2-yl]ethanol Formula: C22H28N4OS MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=CC=C2)CN3CCN(C(C3)CCO)CC4=CSC=C4

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=CC=C2)CN3CCN(C(C3)CCO)CC4=CSC=C4

InChI

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