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

Systemtic Name: ethyl 5-azanyl-6-cyano-7-(furan-2-yl)-4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: ethyl 5-amino-6-cyano-7-(2-furyl)-4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 5-amino-6-cyano-7-(2-furanyl)-4-oxo-3-phenyl-1-phthalazinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-6-cyano-7-(furan-2-yl)-4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 5-amino-6-cyano-7-(2-furyl)-4-keto-3-phenyl-phthalazine-1-carboxylic acid ethyl ester Formula: C22H16N4O4 MolecularWeight: 400.38684

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H16N4O4/c1-2-29-22(28)20-15-11-14(17-9-6-10-30-17)16(12-23)19(24)18(15)21(27)26(25-20)13-7-4-3-5-8-13/h3-11H,2,24H2,1H3