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

Systemtic Name: 3-[(3-chloranyl-4-methyl-quinolin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(3-chloro-4-methyl-2-quinolyl)methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(3-chloro-4-methyl-2-quinolinyl)methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(3-chloro-4-methylquinolin-2-yl)methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 3-[(3-chloro-4-methyl-2-quinolyl)methyl]-4-keto-phthalazine-1-carboxylate Formula: C20H13ClN3O3- MolecularWeight: 378.78852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-])Cl

InChI

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