2-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile

Systemtic Name: 2-[3-(2,5-dimethylphenoxy)-2-oxidanyl-propyl]-5,6-dimethyl-3-oxidanylidene-pyridazine-4-carbonitrile Openeye Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-5,6-dimethyl-3-oxo-pyridazine-4-carbonitrile CAS Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5,6-dimethyl-3-oxo-4-pyridazinecarbonitrile IUPAC Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile Traditional Name: 2-[3-(2,5-dimethylphenoxy)-2-hydroxy-propyl]-3-keto-5,6-dimethyl-pyridazine-4-carbonitrile Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3/c1-11-5-6-12(2)17(7-11)24-10-15(22)9-21-18(23)16(8-19)13(3)14(4)20-21/h5-7,15,22H,9-10H2,1-4H3