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

Systemtic Name: (3S)-2,2-dimethyl-3-oxidanyl-4-(1-oxidanylideneisoquinolin-2-yl)-3,4-dihydrochromene-6-carbonitrile Openeye Name: (3S)-3-hydroxy-2,2-dimethyl-4-(1-oxo-2-isoquinolyl)chromane-6-carbonitrile CAS Name: (3S)-3-hydroxy-2,2-dimethyl-4-(1-oxo-2-isoquinolinyl)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: (3S)-3-hydroxy-2,2-dimethyl-4-(1-oxoisoquinolin-2-yl)-3,4-dihydrochromene-6-carbonitrile Traditional Name: (3S)-3-hydroxy-4-(1-keto-2-isoquinolyl)-2,2-dimethyl-chroman-6-carbonitrile Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=CC4=CC=CC=C4C3=O)O)C

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)C#N)N3C=CC4=CC=CC=C4C3=O)O)C

InChI

InChI=1S/C21H18N2O3/c1-21(2)19(24)18(16-11-13(12-22)7-8-17(16)26-21)23-10-9-14-5-3-4-6-15(14)20(23)25/h3-11,18-19,24H,1-2H3/t18?,19-/m0/s1