4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[3-(2-hydroxyethyl)-4-(2-thienylmethyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[3-(2-hydroxyethyl)-4-(2-thenyl)piperazino]methyl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C23H30N4O2S MolecularWeight: 426.5749

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCN(C(C3)CCO)CC4=CC=CS4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)CN3CCN(C(C3)CCO)CC4=CC=CS4

InChI

InChI=1S/C23H30N4O2S/c1-18-22(23(29)27(24(18)2)19-7-4-3-5-8-19)17-25-11-12-26(20(15-25)10-13-28)16-21-9-6-14-30-21/h3-9,14,20,28H,10-13,15-17H2,1-2H3