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

Systemtic Name: 1-(azepan-1-yl)-3-[3-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[3-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[3-[[2-(1-methyl-4-pyrazolyl)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[3-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[3-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol Formula: C22H34N4O2 MolecularWeight: 386.53096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N4O2/c1-25-16-20(15-24-25)9-10-23-14-19-7-6-8-22(13-19)28-18-21(27)17-26-11-4-2-3-5-12-26/h6-8,13,15-16,21,23,27H,2-5,9-12,14,17-18H2,1H3