methyl 5-[[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-(2,5-dimethylphenyl)-1-oxidanylidene-phthalazin-2-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2,5-dimethylphenyl)-1-oxo-phthalazin-2-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-(2,5-dimethylphenyl)-1-oxo-2-phthalazinyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2,5-dimethylphenyl)-1-oxophthalazin-2-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-(2,5-dimethylphenyl)-1-keto-phthalazin-2-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C23H20N2O4 MolecularWeight: 388.4159

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(O4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=C(O4)C(=O)OC

InChI

InChI=1S/C23H20N2O4/c1-14-8-9-15(2)19(12-14)21-17-6-4-5-7-18(17)22(26)25(24-21)13-16-10-11-20(29-16)23(27)28-3/h4-12H,13H2,1-3H3