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

Systemtic Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[2-methoxy-4-[[2-(1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[2-methoxy-4-[[2-(1H-pyrazol-4-yl)ethylamino]methyl]phenoxy]propan-2-ol Formula: C22H34N4O3 MolecularWeight: 402.53036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC2=CNN=C2)OCC(CN3CCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC2=CNN=C2)OCC(CN3CCCCCC3)O

InChI

InChI=1S/C22H34N4O3/c1-28-22-12-18(13-23-9-8-19-14-24-25-15-19)6-7-21(22)29-17-20(27)16-26-10-4-2-3-5-11-26/h6-7,12,14-15,20,23,27H,2-5,8-11,13,16-17H2,1H3,(H,24,25)