ethyl 5-azanyl-6-cyano-7-(furan-2-yl)-3-(4-methylphenyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: ethyl 5-azanyl-6-cyano-7-(furan-2-yl)-3-(4-methylphenyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: ethyl 5-amino-6-cyano-7-(2-furyl)-4-oxo-3-(p-tolyl)phthalazine-1-carboxylate CAS Name: 5-amino-6-cyano-7-(2-furanyl)-3-(4-methylphenyl)-4-oxo-1-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-6-cyano-7-(furan-2-yl)-3-(4-methylphenyl)-4-oxophthalazine-1-carboxylate Traditional Name: 5-amino-6-cyano-7-(2-furyl)-4-keto-3-(p-tolyl)phthalazine-1-carboxylic acid ethyl ester Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2=C(C(=C(C=C21)C3=CC=CO3)C#N)N)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2=C(C(=C(C=C21)C3=CC=CO3)C#N)N)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H18N4O4/c1-3-30-23(29)21-16-11-15(18-5-4-10-31-18)17(12-24)20(25)19(16)22(28)27(26-21)14-8-6-13(2)7-9-14/h4-11H,3,25H2,1-2H3