3-heptyl-6-[2-(4-propoxyphenyl)ethynyl]pyridazine

Systemtic Name: 3-heptyl-6-[2-(4-propoxyphenyl)ethynyl]pyridazine Openeye Name: 3-heptyl-6-[2-(4-propoxyphenyl)ethynyl]pyridazine CAS Name: 3-heptyl-6-[2-(4-propoxyphenyl)ethynyl]pyridazine IUPAC Name: 3-heptyl-6-[2-(4-propoxyphenyl)ethynyl]pyridazine Traditional Name: 3-heptyl-6-[2-(4-propoxyphenyl)ethynyl]pyridazine Formula: C22H28N2O MolecularWeight: 336.47052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(C=C1)C#CC2=CC=C(C=C2)OCCC

Isomeric SMILES

CCCCCCCC1=NN=C(C=C1)C#CC2=CC=C(C=C2)OCCC

InChI

InChI=1S/C22H28N2O/c1-3-5-6-7-8-9-20-14-15-21(24-23-20)13-10-19-11-16-22(17-12-19)25-18-4-2/h11-12,14-17H,3-9,18H2,1-2H3