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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNCC2=CC(=C(C=C2)OCC(CN3CCCCCC3)O)OC

Isomeric SMILES

CN1C=C(C=N1)CNCC2=CC(=C(C=C2)OCC(CN3CCCCCC3)O)OC

InChI

InChI=1S/C22H34N4O3/c1-25-15-19(14-24-25)13-23-12-18-7-8-21(22(11-18)28-2)29-17-20(27)16-26-9-5-3-4-6-10-26/h7-8,11,14-15,20,23,27H,3-6,9-10,12-13,16-17H2,1-2H3