(3R,4R)-1-[(4-ethynylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol

Systemtic Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-[4-(2-pyridyl)piperazin-1-yl]piperidin-3-ol CAS Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-3-piperidinol IUPAC Name: (3R,4R)-1-[(4-ethynylphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol Traditional Name: (3R,4R)-1-(4-ethynylbenzyl)-4-[4-(2-pyridyl)piperazino]piperidin-3-ol Formula: C23H28N4O MolecularWeight: 376.49462

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC=C(C=C1)CN2CCC(C(C2)O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C#CC1=CC=C(C=C1)CN2CC[C@H]([C@@H](C2)O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C23H28N4O/c1-2-19-6-8-20(9-7-19)17-25-12-10-21(22(28)18-25)26-13-15-27(16-14-26)23-5-3-4-11-24-23/h1,3-9,11,21-22,28H,10,12-18H2/t21-,22-/m1/s1