2-methyl-4-[4-[[(1-methylpiperidin-4-yl)methyl-phenethyl-amino]methyl]phenyl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[4-[[(1-methylpiperidin-4-yl)methyl-phenethyl-amino]methyl]phenyl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[4-[[(1-methyl-4-piperidyl)methyl-phenethyl-amino]methyl]phenyl]but-3-yn-2-ol CAS Name: 2-methyl-4-[4-[[(1-methyl-4-piperidinyl)methyl-phenethylamino]methyl]phenyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[4-[[(1-methylpiperidin-4-yl)methyl-phenethylamino]methyl]phenyl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[4-[[(1-methyl-4-piperidyl)methyl-phenethyl-amino]methyl]phenyl]but-3-yn-2-ol Formula: C27H36N2O MolecularWeight: 404.58754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)CC3CCN(CC3)C)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)CN(CCC2=CC=CC=C2)CC3CCN(CC3)C)O

InChI

InChI=1S/C27H36N2O/c1-27(2,30)17-13-24-9-11-25(12-10-24)21-29(20-16-23-7-5-4-6-8-23)22-26-14-18-28(3)19-15-26/h4-12,26,30H,14-16,18-22H2,1-3H3