4-[6-oxidanylidene-1-[(2,4,6-trimethylphenyl)methyl]pyridazin-3-yl]oxybenzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CN2C(=O)C=CC(=N2)OC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CN2C(=O)C=CC(=N2)OC3=CC=C(C=C3)C#N)C

InChI

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