ethyl 5-azanyl-6-cyano-7-(4-methoxyphenyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: ethyl 5-azanyl-6-cyano-7-(4-methoxyphenyl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: ethyl 5-amino-6-cyano-7-(4-methoxyphenyl)-4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 5-amino-6-cyano-7-(4-methoxyphenyl)-4-oxo-3-phenyl-1-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-6-cyano-7-(4-methoxyphenyl)-4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 5-amino-6-cyano-4-keto-7-(4-methoxyphenyl)-3-phenyl-phthalazine-1-carboxylic acid ethyl ester Formula: C25H20N4O4 MolecularWeight: 440.4507

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N4O4/c1-3-33-25(31)23-19-13-18(15-9-11-17(32-2)12-10-15)20(14-26)22(27)21(19)24(30)29(28-23)16-7-5-4-6-8-16/h4-13H,3,27H2,1-2H3