3-[[6-oxidanylidene-3-(2,4,6-trimethylphenoxy)pyridazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[6-oxidanylidene-3-(2,4,6-trimethylphenoxy)pyridazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[6-oxo-3-(2,4,6-trimethylphenoxy)pyridazin-1-yl]methyl]benzonitrile CAS Name: 3-[[6-oxo-3-(2,4,6-trimethylphenoxy)-1-pyridazinyl]methyl]benzonitrile IUPAC Name: 3-[[6-oxo-3-(2,4,6-trimethylphenoxy)pyridazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[6-keto-3-(2,4,6-trimethylphenoxy)pyridazin-1-yl]methyl]benzonitrile Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC2=NN(C(=O)C=C2)CC3=CC=CC(=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC2=NN(C(=O)C=C2)CC3=CC=CC(=C3)C#N)C

InChI

InChI=1S/C21H19N3O2/c1-14-9-15(2)21(16(3)10-14)26-19-7-8-20(25)24(23-19)13-18-6-4-5-17(11-18)12-22/h4-11H,13H2,1-3H3