1-(azepan-1-yl)-3-[2-methoxy-4-[[methyl(pyrimidin-4-ylmethyl)amino]methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[methyl(pyrimidin-4-ylmethyl)amino]methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[methyl(pyrimidin-4-ylmethyl)amino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[2-methoxy-4-[[methyl(4-pyrimidinylmethyl)amino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[methyl(pyrimidin-4-ylmethyl)amino]methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[methyl(4-pyrimidylmethyl)amino]methyl]phenoxy]propan-2-ol Formula: C23H34N4O3 MolecularWeight: 414.54106

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC(=C(C=C1)OCC(CN2CCCCCC2)O)OC)CC3=NC=NC=C3

Isomeric SMILES

CN(CC1=CC(=C(C=C1)OCC(CN2CCCCCC2)O)OC)CC3=NC=NC=C3

InChI

InChI=1S/C23H34N4O3/c1-26(15-20-9-10-24-18-25-20)14-19-7-8-22(23(13-19)29-2)30-17-21(28)16-27-11-5-3-4-6-12-27/h7-10,13,18,21,28H,3-6,11-12,14-17H2,1-2H3