3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)Cl)C4=CC=CC=C4

InChI

InChI=1S/C20H15ClN4O3/c1-12-16(18(21)25(22-12)13-7-3-2-4-8-13)11-24-19(26)15-10-6-5-9-14(15)17(23-24)20(27)28/h2-10H,11H2,1H3,(H,27,28)