(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C26H18ClN3O4 MolecularWeight: 471.89182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)Cl

Isomeric SMILES

COC1=CC2=NC(=C(C=C2C=C1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)Cl

InChI

InChI=1S/C26H18ClN3O4/c1-33-19-12-11-16-13-17(24(27)28-22(16)14-19)15-34-26(32)23-20-9-5-6-10-21(20)25(31)30(29-23)18-7-3-2-4-8-18/h2-14H,15H2,1H3