11-[6-oxidanylidene-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]undecanenitrile

Systemtic Name: 11-[6-oxidanylidene-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]undecanenitrile Openeye Name: 11-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]undecanenitrile CAS Name: 11-[6-oxo-3-(2-phenyl-3-pyrazolo[1,5-a]pyridinyl)-1-pyridazinyl]undecanenitrile IUPAC Name: 11-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]undecanenitrile Traditional Name: 11-[6-keto-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]undecanenitrile Formula: C28H31N5O MolecularWeight: 453.57864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=NN(C(=O)C=C4)CCCCCCCCCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN3C=CC=CC3=C2C4=NN(C(=O)C=C4)CCCCCCCCCCC#N

InChI

InChI=1S/C28H31N5O/c29-20-12-6-4-2-1-3-5-7-13-22-33-26(34)19-18-24(30-33)27-25-17-11-14-21-32(25)31-28(27)23-15-9-8-10-16-23/h8-11,14-19,21H,1-7,12-13,22H2