3-hexyl-2,2-dimethyl-3-oxidanyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]-4H-chromene-6-carbonitrile

Systemtic Name: 3-hexyl-2,2-dimethyl-3-oxidanyl-4-[(6-oxidanylidene-1H-pyridazin-3-yl)oxy]-4H-chromene-6-carbonitrile Openeye Name: 3-hexyl-3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]chromane-6-carbonitrile CAS Name: 3-hexyl-3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hexyl-3-hydroxy-2,2-dimethyl-4-[(6-oxo-1H-pyridazin-3-yl)oxy]-4H-chromene-6-carbonitrile Traditional Name: 3-hexyl-3-hydroxy-4-[(6-keto-1H-pyridazin-3-yl)oxy]-2,2-dimethyl-chroman-6-carbonitrile Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(C(C2=C(C=CC(=C2)C#N)OC1(C)C)OC3=NNC(=O)C=C3)O

Isomeric SMILES

CCCCCCC1(C(C2=C(C=CC(=C2)C#N)OC1(C)C)OC3=NNC(=O)C=C3)O

InChI

InChI=1S/C22H27N3O4/c1-4-5-6-7-12-22(27)20(28-19-11-10-18(26)24-25-19)16-13-15(14-23)8-9-17(16)29-21(22,2)3/h8-11,13,20,27H,4-7,12H2,1-3H3,(H,24,26)