4-[(3,6-dipyridin-2-ylpyridazin-4-yl)methyl]-2-hexoxy-3-piperazin-1-yl-phenol

Systemtic Name: 4-[(3,6-dipyridin-2-ylpyridazin-4-yl)methyl]-2-hexoxy-3-piperazin-1-yl-phenol Openeye Name: 4-[[3,6-bis(2-pyridyl)pyridazin-4-yl]methyl]-2-hexoxy-3-piperazin-1-yl-phenol CAS Name: 4-[[3,6-bis(2-pyridinyl)-4-pyridazinyl]methyl]-2-hexoxy-3-(1-piperazinyl)phenol IUPAC Name: 4-[(3,6-dipyridin-2-ylpyridazin-4-yl)methyl]-2-hexoxy-3-piperazin-1-ylphenol Traditional Name: 4-[[3,6-bis(2-pyridyl)pyridazin-4-yl]methyl]-2-hexoxy-3-piperazino-phenol Formula: C31H36N6O2 MolecularWeight: 524.65654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1N2CCNCC2)CC3=CC(=NN=C3C4=CC=CC=N4)C5=CC=CC=N5)O

Isomeric SMILES

CCCCCCOC1=C(C=CC(=C1N2CCNCC2)CC3=CC(=NN=C3C4=CC=CC=N4)C5=CC=CC=N5)O

InChI

InChI=1S/C31H36N6O2/c1-2-3-4-9-20-39-31-28(38)13-12-23(30(31)37-18-16-32-17-19-37)21-24-22-27(25-10-5-7-14-33-25)35-36-29(24)26-11-6-8-15-34-26/h5-8,10-15,22,32,38H,2-4,9,16-21H2,1H3