4-[4-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]but-3-yn-1-ol

Systemtic Name: 4-[4-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]but-3-yn-1-ol Openeye Name: 4-[4-[[[(3R)-1-cyclohexyl-3-piperidyl]methyl-(3-pyridylmethyl)amino]methyl]phenyl]but-3-yn-1-ol CAS Name: 4-[4-[[[(3R)-1-cyclohexyl-3-piperidinyl]methyl-(3-pyridinylmethyl)amino]methyl]phenyl]-3-butyn-1-ol IUPAC Name: 4-[4-[[[(3R)-1-cyclohexylpiperidin-3-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]phenyl]but-3-yn-1-ol Traditional Name: 4-[4-[[[(3R)-1-cyclohexyl-3-piperidyl]methyl-(3-pyridylmethyl)amino]methyl]phenyl]but-3-yn-1-ol Formula: C29H39N3O MolecularWeight: 445.63946

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCCC(C2)CN(CC3=CC=C(C=C3)C#CCCO)CC4=CN=CC=C4

Isomeric SMILES

C1CCC(CC1)N2CCC[C@@H](C2)CN(CC3=CC=C(C=C3)C#CCCO)CC4=CN=CC=C4

InChI

InChI=1S/C29H39N3O/c33-19-5-4-8-25-13-15-26(16-14-25)21-31(22-27-9-6-17-30-20-27)23-28-10-7-18-32(24-28)29-11-2-1-3-12-29/h6,9,13-17,20,28-29,33H,1-3,5,7,10-12,18-19,21-24H2/t28-/m1/s1