4-[4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol

Systemtic Name: 4-[4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol Openeye Name: 4-[4-[[3-(2-hydroxyethyl)-4-(2-thienylmethyl)piperazin-1-yl]methyl]phenyl]-2-methyl-but-3-yn-2-ol CAS Name: 4-[4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)-1-piperazinyl]methyl]phenyl]-2-methyl-3-butyn-2-ol IUPAC Name: 4-[4-[[3-(2-hydroxyethyl)-4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]phenyl]-2-methylbut-3-yn-2-ol Traditional Name: 4-[4-[[3-(2-hydroxyethyl)-4-(2-thenyl)piperazino]methyl]phenyl]-2-methyl-but-3-yn-2-ol Formula: C23H30N2O2S MolecularWeight: 398.5615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)CN2CCN(C(C2)CCO)CC3=CC=CS3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)CN2CCN(C(C2)CCO)CC3=CC=CS3)O

InChI

InChI=1S/C23H30N2O2S/c1-23(2,27)11-9-19-5-7-20(8-6-19)16-24-12-13-25(21(17-24)10-14-26)18-22-4-3-15-28-22/h3-8,15,21,26-27H,10,12-14,16-18H2,1-2H3