(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C22H18ClN3O3 MolecularWeight: 407.84962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)Cl)C

InChI

InChI=1S/C22H18ClN3O3/c1-12-8-9-14-10-15(20(23)24-18(14)13(12)2)11-29-22(28)19-16-6-4-5-7-17(16)21(27)26(3)25-19/h4-10H,11H2,1-3H3