ethyl 5-azanyl-6-cyano-4-oxidanylidene-3,7-diphenyl-phthalazine-1-carboxylate

Systemtic Name: ethyl 5-azanyl-6-cyano-4-oxidanylidene-3,7-diphenyl-phthalazine-1-carboxylate Openeye Name: ethyl 5-amino-6-cyano-4-oxo-3,7-diphenyl-phthalazine-1-carboxylate CAS Name: 5-amino-6-cyano-4-oxo-3,7-diphenyl-1-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-6-cyano-4-oxo-3,7-diphenylphthalazine-1-carboxylate Traditional Name: 5-amino-6-cyano-4-keto-3,7-diphenyl-phthalazine-1-carboxylic acid ethyl ester Formula: C24H18N4O3 MolecularWeight: 410.42472

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(C(=C(C=C21)C3=CC=CC=C3)C#N)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(C(=C(C=C21)C3=CC=CC=C3)C#N)N)C4=CC=CC=C4

InChI

InChI=1S/C24H18N4O3/c1-2-31-24(30)22-18-13-17(15-9-5-3-6-10-15)19(14-25)21(26)20(18)23(29)28(27-22)16-11-7-4-8-12-16/h3-13H,2,26H2,1H3