2-methyl-4-[4-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol

Systemtic Name: 2-methyl-4-[4-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol Openeye Name: 2-methyl-4-[4-[[4-(4-phenethyl-1H-pyrazol-5-yl)-1-piperidyl]methyl]phenyl]but-3-yn-2-ol CAS Name: 2-methyl-4-[4-[[4-(4-phenethyl-1H-pyrazol-5-yl)-1-piperidinyl]methyl]phenyl]-3-butyn-2-ol IUPAC Name: 2-methyl-4-[4-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol Traditional Name: 2-methyl-4-[4-[[4-(4-phenethyl-1H-pyrazol-5-yl)piperidino]methyl]phenyl]but-3-yn-2-ol Formula: C28H33N3O MolecularWeight: 427.58112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)CN2CCC(CC2)C3=C(C=NN3)CCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)CN2CCC(CC2)C3=C(C=NN3)CCC4=CC=CC=C4)O

InChI

InChI=1S/C28H33N3O/c1-28(2,32)17-14-23-8-10-24(11-9-23)21-31-18-15-25(16-19-31)27-26(20-29-30-27)13-12-22-6-4-3-5-7-22/h3-11,20,25,32H,12-13,15-16,18-19,21H2,1-2H3,(H,29,30)