(3S,4R)-2,2-dimethyl-3-oxidanyl-4-(6-oxidanylidene-1-propan-2-yl-pyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(6-oxidanylidene-1-propan-2-yl-pyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S,4R)-3-hydroxy-4-(1-isopropyl-6-oxo-pyridazin-3-yl)oxy-2,2-dimethyl-chromane-6-carbonitrile CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-[(6-oxo-1-propan-2-yl-3-pyridazinyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(6-oxo-1-propan-2-ylpyridazin-3-yl)oxy-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S,4R)-3-hydroxy-4-(1-isopropyl-6-keto-pyridazin-3-yl)oxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C=CC(=N1)OC2C(C(OC3=C2C=C(C=C3)C#N)(C)C)O

Isomeric SMILES

CC(C)N1C(=O)C=CC(=N1)O[C@H]2[C@@H](C(OC3=C2C=C(C=C3)C#N)(C)C)O

InChI

InChI=1S/C19H21N3O4/c1-11(2)22-16(23)8-7-15(21-22)25-17-13-9-12(10-20)5-6-14(13)26-19(3,4)18(17)24/h5-9,11,17-18,24H,1-4H3/t17-,18+/m1/s1