(3S)-2,2-dimethyl-3-oxidanyl-4-(1-oxidanylidenephthalazin-2-yl)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: (3S)-2,2-dimethyl-3-oxidanyl-4-(1-oxidanylidenephthalazin-2-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-(1-oxophthalazin-2-yl)chromane-6-carbonitrile CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(1-oxo-2-phthalazinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-(1-oxophthalazin-2-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-3-hydroxy-4-(1-ketophthalazin-2-yl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C20H17N3O3 MolecularWeight: 347.36728

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C(=O)C4=CC=CC=C4C=N3)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3C(=O)C4=CC=CC=C4C=N3)O)C

InChI

InChI=1S/C20H17N3O3/c1-20(2)18(24)17(15-9-12(10-21)7-8-16(15)26-20)23-19(25)14-6-4-3-5-13(14)11-22-23/h3-9,11,17-18,24H,1-2H3/t17?,18-/m0/s1