3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H15N5O3 MolecularWeight: 385.3755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C21H15N5O3/c1-13-17(11-22)18(26(23-13)14-7-3-2-4-8-14)12-25-20(27)16-10-6-5-9-15(16)19(24-25)21(28)29/h2-10H,12H2,1H3,(H,28,29)