(3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: (3-methoxycarbonyl-4-methyl-quinolin-2-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (3-methoxycarbonyl-4-methyl-2-quinolyl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (3-methoxycarbonyl-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-methoxycarbonyl-4-methylquinolin-2-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (3-carbomethoxy-4-methyl-2-quinolyl)methyl ester Formula: C22H17N3O5 MolecularWeight: 403.38748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=NNC(=O)C4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)C3=NNC(=O)C4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C22H17N3O5/c1-12-13-7-5-6-10-16(13)23-17(18(12)21(27)29-2)11-30-22(28)19-14-8-3-4-9-15(14)20(26)25-24-19/h3-10H,11H2,1-2H3,(H,25,26)