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

Systemtic Name: 2-methyl-4-[4-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[4-[[3-[4-(o-tolyl)piperazin-1-yl]-1-piperidyl]methyl]phenyl]but-3-yn-2-ol CAS Name: 2-methyl-4-[4-[[3-[4-(2-methylphenyl)-1-piperazinyl]-1-piperidinyl]methyl]phenyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[4-[[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[4-[[3-[4-(o-tolyl)piperazino]piperidino]methyl]phenyl]but-3-yn-2-ol Formula: C28H37N3O MolecularWeight: 431.61288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37N3O/c1-23-7-4-5-9-27(23)31-19-17-30(18-20-31)26-8-6-16-29(22-26)21-25-12-10-24(11-13-25)14-15-28(2,3)32/h4-5,7,9-13,26,32H,6,8,16-22H2,1-3H3