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

Systemtic Name: (3R,4R)-1-[(3-chloranyl-4-oxidanyl-phenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol Openeye Name: (3R,4R)-1-[(3-chloro-4-hydroxy-phenyl)methyl]-4-[4-(2-pyridyl)piperazin-1-yl]piperidin-3-ol CAS Name: (3R,4R)-1-[(3-chloro-4-hydroxyphenyl)methyl]-4-[4-(2-pyridinyl)-1-piperazinyl]-3-piperidinol IUPAC Name: (3R,4R)-1-[(3-chloro-4-hydroxyphenyl)methyl]-4-(4-pyridin-2-ylpiperazin-1-yl)piperidin-3-ol Traditional Name: (3R,4R)-1-(3-chloro-4-hydroxy-benzyl)-4-[4-(2-pyridyl)piperazino]piperidin-3-ol Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1N2CCN(CC2)C3=CC=CC=N3)O)CC4=CC(=C(C=C4)O)Cl

Isomeric SMILES

C1CN(C[C@H]([C@@H]1N2CCN(CC2)C3=CC=CC=N3)O)CC4=CC(=C(C=C4)O)Cl

InChI

InChI=1S/C21H27ClN4O2/c22-17-13-16(4-5-19(17)27)14-24-8-6-18(20(28)15-24)25-9-11-26(12-10-25)21-3-1-2-7-23-21/h1-5,7,13,18,20,27-28H,6,8-12,14-15H2/t18-,20-/m1/s1