9-[6-oxidanylidene-3-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-1-yl]nonanenitrile

Systemtic Name: 9-[6-oxidanylidene-3-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-1-yl]nonanenitrile Openeye Name: 9-[6-oxo-3-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-1-yl]nonanenitrile CAS Name: 9-[6-oxo-3-[3-(2-pyrazolo[1,5-a]pyridinyl)phenyl]-1-pyridazinyl]nonanenitrile IUPAC Name: 9-[6-oxo-3-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-1-yl]nonanenitrile Traditional Name: 9-[6-keto-3-(3-pyrazolo[1,5-a]pyridin-2-ylphenyl)pyridazin-1-yl]pelargononitrile Formula: C26H27N5O MolecularWeight: 425.52548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=NN2C=C1)C3=CC=CC(=C3)C4=NN(C(=O)C=C4)CCCCCCCCC#N

Isomeric SMILES

C1=CC2=CC(=NN2C=C1)C3=CC=CC(=C3)C4=NN(C(=O)C=C4)CCCCCCCCC#N

InChI

InChI=1S/C26H27N5O/c27-16-7-4-2-1-3-5-8-18-31-26(32)15-14-24(28-31)21-11-10-12-22(19-21)25-20-23-13-6-9-17-30(23)29-25/h6,9-15,17,19-20H,1-5,7-8,18H2