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

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C20H14ClN3O3 MolecularWeight: 379.79646

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H14ClN3O3/c1-11-12-6-4-5-9-15(12)22-16(17(11)21)10-27-20(26)18-13-7-2-3-8-14(13)19(25)24-23-18/h2-9H,10H2,1H3,(H,24,25)