1-(azepan-1-yl)-3-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azepan-1-yl)-3-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]propan-2-ol Openeye Name: 1-(azepan-1-yl)-3-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azepanyl)-3-[3-[[ethyl-[2-(1-pyrazolyl)ethyl]amino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azepan-1-yl)-3-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]propan-2-ol Traditional Name: 1-(azepan-1-yl)-3-[3-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]phenoxy]propan-2-ol Formula: C23H36N4O2 MolecularWeight: 400.55754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=CC=N1)CC2=CC(=CC=C2)OCC(CN3CCCCCC3)O

Isomeric SMILES

CCN(CCN1C=CC=N1)CC2=CC(=CC=C2)OCC(CN3CCCCCC3)O

InChI

InChI=1S/C23H36N4O2/c1-2-25(15-16-27-14-8-11-24-27)18-21-9-7-10-23(17-21)29-20-22(28)19-26-12-5-3-4-6-13-26/h7-11,14,17,22,28H,2-6,12-13,15-16,18-20H2,1H3