3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(2-chloro-7,8-dimethyl-3-quinolyl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H16ClN3O3 MolecularWeight: 393.82304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)Cl)C

InChI

InChI=1S/C21H16ClN3O3/c1-11-7-8-13-9-14(19(22)23-17(13)12(11)2)10-25-20(26)16-6-4-3-5-15(16)18(24-25)21(27)28/h3-9H,10H2,1-2H3,(H,27,28)