(3-chloranyl-4-methyl-quinolin-2-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C21H16ClN3O3 MolecularWeight: 393.82304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CC3=NNC(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CC3=NNC(=O)C4=CC=CC=C43)Cl

InChI

InChI=1S/C21H16ClN3O3/c1-12-13-6-4-5-9-16(13)23-18(20(12)22)11-28-19(26)10-17-14-7-2-3-8-15(14)21(27)25-24-17/h2-9H,10-11H2,1H3,(H,25,27)