5-azanyl-6-cyano-4-oxidanylidene-3,7-diphenyl-phthalazine-1-carboxylic acid

Systemtic Name: 5-azanyl-6-cyano-4-oxidanylidene-3,7-diphenyl-phthalazine-1-carboxylic acid Openeye Name: 5-amino-6-cyano-4-oxo-3,7-diphenyl-phthalazine-1-carboxylic acid CAS Name: 5-amino-6-cyano-4-oxo-3,7-diphenyl-1-phthalazinecarboxylic acid IUPAC Name: 5-amino-6-cyano-4-oxo-3,7-diphenylphthalazine-1-carboxylic acid Traditional Name: 5-amino-6-cyano-4-keto-3,7-diphenyl-phthalazine-1-carboxylic acid Formula: C22H14N4O3 MolecularWeight: 382.37156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C(=NN(C3=O)C4=CC=CC=C4)C(=O)O)N)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=C3C(=C2)C(=NN(C3=O)C4=CC=CC=C4)C(=O)O)N)C#N

InChI

InChI=1S/C22H14N4O3/c23-12-17-15(13-7-3-1-4-8-13)11-16-18(19(17)24)21(27)26(25-20(16)22(28)29)14-9-5-2-6-10-14/h1-11H,24H2,(H,28,29)