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

Systemtic Name: ethyl 5-azanyl-3-(4-bromophenyl)-6-cyano-4-oxidanylidene-7-phenyl-phthalazine-1-carboxylate Openeye Name: ethyl 5-amino-3-(4-bromophenyl)-6-cyano-4-oxo-7-phenyl-phthalazine-1-carboxylate CAS Name: 5-amino-3-(4-bromophenyl)-6-cyano-4-oxo-7-phenyl-1-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-(4-bromophenyl)-6-cyano-4-oxo-7-phenylphthalazine-1-carboxylate Traditional Name: 5-amino-3-(4-bromophenyl)-6-cyano-4-keto-7-phenyl-phthalazine-1-carboxylic acid ethyl ester Formula: C24H17BrN4O3 MolecularWeight: 489.32078

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C24H17BrN4O3/c1-2-32-24(31)22-18-12-17(14-6-4-3-5-7-14)19(13-26)21(27)20(18)23(30)29(28-22)16-10-8-15(25)9-11-16/h3-12H,2,27H2,1H3