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

Systemtic Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-yl]methyl]phenyl]but-3-yn-1-ol Openeye Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazin-1-yl]methyl]phenyl]but-3-yn-1-ol CAS Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-1-piperazinyl]methyl]phenyl]-3-butyn-1-ol IUPAC Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-phenethylpiperazin-1-yl]methyl]phenyl]but-3-yn-1-ol Traditional Name: 4-[4-[[(3S)-3-(2-hydroxyethyl)-4-phenethyl-piperazino]methyl]phenyl]but-3-yn-1-ol Formula: C25H32N2O2 MolecularWeight: 392.53378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CC2=CC=C(C=C2)C#CCCO)CCO)CCC3=CC=CC=C3

Isomeric SMILES

C1CN([C@H](CN1CC2=CC=C(C=C2)C#CCCO)CCO)CCC3=CC=CC=C3

InChI

InChI=1S/C25H32N2O2/c28-18-5-4-8-23-9-11-24(12-10-23)20-26-16-17-27(25(21-26)14-19-29)15-13-22-6-2-1-3-7-22/h1-3,6-7,9-12,25,28-29H,5,13-21H2/t25-/m0/s1