2,2-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)oxy-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-4-(3-methyl-4-oxidanylidene-phthalazin-1-yl)oxy-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-4-(3-methyl-4-oxo-phthalazin-1-yl)oxy-chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-4-[(3-methyl-4-oxo-1-phthalazinyl)oxy]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-4-(3-methyl-4-oxophthalazin-1-yl)oxy-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-(4-keto-3-methyl-phthalazin-1-yl)oxy-2,2-dimethyl-chroman-6-carbonitrile Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)C4=CC=CC=C43)C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)OC3=NN(C(=O)C4=CC=CC=C43)C)O)C

InChI

InChI=1S/C21H19N3O4/c1-21(2)18(25)17(15-10-12(11-22)8-9-16(15)28-21)27-19-13-6-4-5-7-14(13)20(26)24(3)23-19/h4-10,17-18,25H,1-3H3