(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CC3=NNC(=O)C4=CC=CC=C43)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CC3=NNC(=O)C4=CC=CC=C43)Cl)C

InChI

InChI=1S/C22H18ClN3O3/c1-12-7-8-14-9-15(21(23)24-20(14)13(12)2)11-29-19(27)10-18-16-5-3-4-6-17(16)22(28)26-25-18/h3-9H,10-11H2,1-2H3,(H,26,28)