2-[[4-[1-(2-methylpropyl)-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]quinoline

Systemtic Name: 2-[[4-[1-(2-methylpropyl)-4-pyridin-4-yl-pyrazol-3-yl]phenoxy]methyl]quinoline Openeye Name: 2-[[4-[1-isobutyl-4-(4-pyridyl)pyrazol-3-yl]phenoxy]methyl]quinoline CAS Name: 2-[[4-[1-(2-methylpropyl)-4-pyridin-4-yl-3-pyrazolyl]phenoxy]methyl]quinoline IUPAC Name: 2-[[4-[1-(2-methylpropyl)-4-pyridin-4-ylpyrazol-3-yl]phenoxy]methyl]quinoline Traditional Name: 2-[[4-[1-isobutyl-4-(4-pyridyl)pyrazol-3-yl]phenoxy]methyl]quinoline Formula: C28H26N4O MolecularWeight: 434.53224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5

Isomeric SMILES

CC(C)CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5

InChI

InChI=1S/C28H26N4O/c1-20(2)17-32-18-26(21-13-15-29-16-14-21)28(31-32)23-8-11-25(12-9-23)33-19-24-10-7-22-5-3-4-6-27(22)30-24/h3-16,18,20H,17,19H2,1-2H3