3-[6-oxidanylidene-1-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-yl]benzenecarbonitrile

Systemtic Name: 3-[6-oxidanylidene-1-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-yl]benzenecarbonitrile Openeye Name: 3-[6-oxo-1-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-yl]benzonitrile CAS Name: 3-[6-oxo-1-[[3-[5-(1H-pyrazol-4-yl)-2-pyrimidinyl]phenyl]methyl]-3-pyridazinyl]benzonitrile IUPAC Name: 3-[6-oxo-1-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-yl]benzonitrile Traditional Name: 3-[6-keto-1-[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]benzyl]pyridazin-3-yl]benzonitrile Formula: C25H17N7O MolecularWeight: 431.44878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NN(C(=O)C=C2)CC3=CC=CC(=C3)C4=NC=C(C=N4)C5=CNN=C5)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NN(C(=O)C=C2)CC3=CC=CC(=C3)C4=NC=C(C=N4)C5=CNN=C5)C#N

InChI

InChI=1S/C25H17N7O/c26-11-17-3-1-5-19(9-17)23-7-8-24(33)32(31-23)16-18-4-2-6-20(10-18)25-27-12-21(13-28-25)22-14-29-30-15-22/h1-10,12-15H,16H2,(H,29,30)