1-[2-[[isoquinolin-5-ylmethyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-yl-propan-2-ol

Systemtic Name: 1-[2-[[isoquinolin-5-ylmethyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-yl-propan-2-ol Openeye Name: 1-[2-[[5-isoquinolylmethyl(methyl)amino]methyl]phenoxy]-3-(1-piperidyl)propan-2-ol CAS Name: 1-[2-[[5-isoquinolinylmethyl(methyl)amino]methyl]phenoxy]-3-(1-piperidinyl)-2-propanol IUPAC Name: 1-[2-[[isoquinolin-5-ylmethyl(methyl)amino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol Traditional Name: 1-[2-[[5-isoquinolylmethyl(methyl)amino]methyl]phenoxy]-3-piperidino-propan-2-ol Formula: C26H33N3O2 MolecularWeight: 419.55912

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1OCC(CN2CCCCC2)O)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CN(CC1=CC=CC=C1OCC(CN2CCCCC2)O)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C26H33N3O2/c1-28(17-22-10-7-9-21-16-27-13-12-25(21)22)18-23-8-3-4-11-26(23)31-20-24(30)19-29-14-5-2-6-15-29/h3-4,7-13,16,24,30H,2,5-6,14-15,17-20H2,1H3