2-[2-(4-hexylphenyl)-2-oxidanylidene-ethyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[2-(4-hexylphenyl)-2-oxidanylidene-ethyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[2-(4-hexylphenyl)-2-oxo-ethyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[2-(4-hexylphenyl)-2-oxoethyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[2-(4-hexylphenyl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[2-(4-hexylphenyl)-2-keto-ethyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CN2C(=O)C(=C(C(=N2)C)C)C#N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CN2C(=O)C(=C(C(=N2)C)C)C#N

InChI

InChI=1S/C21H25N3O2/c1-4-5-6-7-8-17-9-11-18(12-10-17)20(25)14-24-21(26)19(13-22)15(2)16(3)23-24/h9-12H,4-8,14H2,1-3H3