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

Systemtic Name: 1-(azepan-1-yl)-3-[4-chloranyl-2-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[4-chloro-2-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[4-chloro-2-[[(1-methyl-4-pyrazolyl)methylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[4-chloro-2-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[4-chloro-2-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenoxy]propan-2-ol Formula: C21H31ClN4O2 MolecularWeight: 406.94944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31ClN4O2/c1-25-14-17(12-24-25)11-23-13-18-10-19(22)6-7-21(18)28-16-20(27)15-26-8-4-2-3-5-9-26/h6-7,10,12,14,20,23,27H,2-5,8-9,11,13,15-16H2,1H3