2-chloranyl-4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-6-methoxy-phenol

Systemtic Name: 2-chloranyl-4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-6-methoxy-phenol Openeye Name: 2-chloro-4-[[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]-6-methoxy-phenol CAS Name: 2-chloro-4-[[(1-cyclopentyl-4-piperidinyl)methyl-(3-pyridinylmethyl)amino]methyl]-6-methoxyphenol IUPAC Name: 2-chloro-4-[[(1-cyclopentylpiperidin-4-yl)methyl-(pyridin-3-ylmethyl)amino]methyl]-6-methoxyphenol Traditional Name: 2-chloro-4-[[(1-cyclopentyl-4-piperidyl)methyl-(3-pyridylmethyl)amino]methyl]-6-methoxy-phenol Formula: C25H34ClN3O2 MolecularWeight: 444.00936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN(CC2CCN(CC2)C3CCCC3)CC4=CN=CC=C4)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN(CC2CCN(CC2)C3CCCC3)CC4=CN=CC=C4)Cl)O

InChI

InChI=1S/C25H34ClN3O2/c1-31-24-14-21(13-23(26)25(24)30)18-28(17-20-5-4-10-27-15-20)16-19-8-11-29(12-9-19)22-6-2-3-7-22/h4-5,10,13-15,19,22,30H,2-3,6-9,11-12,16-18H2,1H3