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

Systemtic Name: (3-methoxycarbonyl-4-phenyl-quinolin-2-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (3-methoxycarbonyl-4-phenyl-2-quinolyl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (3-methoxycarbonyl-4-phenyl-2-quinolinyl)methyl ester IUPAC Name: (3-methoxycarbonyl-4-phenylquinolin-2-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (3-carbomethoxy-4-phenyl-2-quinolyl)methyl ester Formula: C27H19N3O5 MolecularWeight: 465.45686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=NNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)C3=NNC(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C27H19N3O5/c1-34-26(32)23-21(15-35-27(33)24-17-11-5-6-12-18(17)25(31)30-29-24)28-20-14-8-7-13-19(20)22(23)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,30,31)