1-(azocan-1-yl)-3-[5-methoxy-2-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propan-2-ol

Systemtic Name: 1-(azocan-1-yl)-3-[5-methoxy-2-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propan-2-ol Openeye Name: 1-(azocan-1-yl)-3-[5-methoxy-2-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propan-2-ol CAS Name: 1-(1-azocanyl)-3-[5-methoxy-2-[[2-(1-pyrazolyl)ethylamino]methyl]phenoxy]-2-propanol IUPAC Name: 1-(azocan-1-yl)-3-[5-methoxy-2-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propan-2-ol Traditional Name: 1-(azocan-1-yl)-3-[5-methoxy-2-[(2-pyrazol-1-ylethylamino)methyl]phenoxy]propan-2-ol Formula: C23H36N4O3 MolecularWeight: 416.55694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CNCCN2C=CC=N2)OCC(CN3CCCCCCC3)O

Isomeric SMILES

COC1=CC(=C(C=C1)CNCCN2C=CC=N2)OCC(CN3CCCCCCC3)O

InChI

InChI=1S/C23H36N4O3/c1-29-22-9-8-20(17-24-11-15-27-14-7-10-25-27)23(16-22)30-19-21(28)18-26-12-5-3-2-4-6-13-26/h7-10,14,16,21,24,28H,2-6,11-13,15,17-19H2,1H3