3-methyl-1-[6-(4-octylphenyl)pyridazin-3-yl]oxy-nonan-4-one

Systemtic Name: 3-methyl-1-[6-(4-octylphenyl)pyridazin-3-yl]oxy-nonan-4-one Openeye Name: 3-methyl-1-[6-(4-octylphenyl)pyridazin-3-yl]oxy-nonan-4-one CAS Name: 3-methyl-1-[[6-(4-octylphenyl)-3-pyridazinyl]oxy]-4-nonanone IUPAC Name: 3-methyl-1-[6-(4-octylphenyl)pyridazin-3-yl]oxynonan-4-one Traditional Name: 3-methyl-1-[6-(4-octylphenyl)pyridazin-3-yl]oxy-nonan-4-one Formula: C28H42N2O2 MolecularWeight: 438.64528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(C=C2)OCCC(C)C(=O)CCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=NN=C(C=C2)OCCC(C)C(=O)CCCCC

InChI

InChI=1S/C28H42N2O2/c1-4-6-8-9-10-12-13-24-15-17-25(18-16-24)26-19-20-28(30-29-26)32-22-21-23(3)27(31)14-11-7-5-2/h15-20,23H,4-14,21-22H2,1-3H3