1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[2-methoxy-4-[[2-(1-methyl-4-pyrazolyl)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCNCC2=CC(=C(C=C2)OCC(CN3CCCCCC3)O)OC

Isomeric SMILES

CN1C=C(C=N1)CCNCC2=CC(=C(C=C2)OCC(CN3CCCCCC3)O)OC

InChI

InChI=1S/C23H36N4O3/c1-26-16-20(15-25-26)9-10-24-14-19-7-8-22(23(13-19)29-2)30-18-21(28)17-27-11-5-3-4-6-12-27/h7-8,13,15-16,21,24,28H,3-6,9-12,14,17-18H2,1-2H3