1-(azocan-1-yl)-3-[4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-2-methoxy-phenoxy]propan-2-ol

Systemtic Name: 1-(azocan-1-yl)-3-[4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-2-methoxy-phenoxy]propan-2-ol Openeye Name: 1-(azocan-1-yl)-3-[4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-2-methoxy-phenoxy]propan-2-ol CAS Name: 1-(1-azocanyl)-3-[4-[[ethyl-[2-(1-pyrazolyl)ethyl]amino]methyl]-2-methoxyphenoxy]-2-propanol IUPAC Name: 1-(azocan-1-yl)-3-[4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-2-methoxyphenoxy]propan-2-ol Traditional Name: 1-(azocan-1-yl)-3-[4-[[ethyl(2-pyrazol-1-ylethyl)amino]methyl]-2-methoxy-phenoxy]propan-2-ol Formula: C25H40N4O3 MolecularWeight: 444.6101

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCN1C=CC=N1)CC2=CC(=C(C=C2)OCC(CN3CCCCCCC3)O)OC

Isomeric SMILES

CCN(CCN1C=CC=N1)CC2=CC(=C(C=C2)OCC(CN3CCCCCCC3)O)OC

InChI

InChI=1S/C25H40N4O3/c1-3-27(16-17-29-15-9-12-26-29)19-22-10-11-24(25(18-22)31-2)32-21-23(30)20-28-13-7-5-4-6-8-14-28/h9-12,15,18,23,30H,3-8,13-14,16-17,19-21H2,1-2H3