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

Systemtic Name: (2-chloranyl-7-methyl-quinolin-3-yl)methyl 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: (2-chloro-7-methyl-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-methyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methylquinolin-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-methyl-3-quinolyl)methyl ester Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC3=NNC(=O)C4=CC=CC=C43)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)COC(=O)CC3=NNC(=O)C4=CC=CC=C43)Cl

InChI

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