4-[4-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol

Systemtic Name: 4-[4-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol Openeye Name: 4-[4-[[3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]methyl]phenyl]but-3-yn-1-ol CAS Name: 4-[4-[[3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]methyl]phenyl]-3-butyn-1-ol IUPAC Name: 4-[4-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-1-ol Traditional Name: 4-[4-[[3-[4-(o-tolyl)piperazino]piperidino]methyl]phenyl]but-3-yn-1-ol Formula: C27H35N3O MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)CC4=CC=C(C=C4)C#CCCO

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C3CCCN(C3)CC4=CC=C(C=C4)C#CCCO

InChI

InChI=1S/C27H35N3O/c1-23-7-2-3-10-27(23)30-18-16-29(17-19-30)26-9-6-15-28(22-26)21-25-13-11-24(12-14-25)8-4-5-20-31/h2-3,7,10-14,26,31H,5-6,9,15-22H2,1H3