ethyl 4-cyano-2-methyl-5-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]furan-3-carboxylate

Systemtic Name: ethyl 4-cyano-2-methyl-5-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]furan-3-carboxylate Openeye Name: ethyl 5-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]-4-cyano-2-methyl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]-3-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]-4-cyano-2-methylfuran-3-carboxylate Traditional Name: 5-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]-4-cyano-2-methyl-furan-3-carboxylic acid ethyl ester Formula: C25H20N4O5 MolecularWeight: 456.4501

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C1C#N)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C1C#N)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H20N4O5/c1-3-33-25(32)20-15(2)34-23(19(20)13-26)27-22(30)21-17-11-7-8-12-18(17)24(31)29(28-21)14-16-9-5-4-6-10-16/h4-12H,3,14H2,1-2H3,(H,27,30)