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

Systemtic Name: ethyl 4-azanyl-7-(4-chlorophenyl)-6-cyano-5-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: ethyl 4-amino-7-(4-chlorophenyl)-6-cyano-5-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-amino-7-(4-chlorophenyl)-6-cyano-5-oxo-3-phenyl-1-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-7-(4-chlorophenyl)-6-cyano-5-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-amino-7-(4-chlorophenyl)-6-cyano-5-keto-3-phenyl-phthalazine-1-carboxylic acid ethyl ester Formula: C24H17ClN4O3 MolecularWeight: 444.86978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C2C1=CC(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=NN(C(=C2C1=CC(=C(C2=O)C#N)C3=CC=C(C=C3)Cl)N)C4=CC=CC=C4

InChI

InChI=1S/C24H17ClN4O3/c1-2-32-24(31)21-18-12-17(14-8-10-15(25)11-9-14)19(13-26)22(30)20(18)23(27)29(28-21)16-6-4-3-5-7-16/h3-12H,2,27H2,1H3