3-[2-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[[5-methyl-2-(o-tolyl)pyrazol-3-yl]amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[[5-methyl-2-(2-methylphenyl)-3-pyrazolyl]amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[[5-methyl-2-(o-tolyl)pyrazol-3-yl]amino]ethyl]phthalazine-1-carboxylic acid Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=CC(=N2)C)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1N2C(=CC(=N2)C)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C22H19N5O4/c1-13-7-3-6-10-17(13)27-18(11-14(2)24-27)23-19(28)12-26-21(29)16-9-5-4-8-15(16)20(25-26)22(30)31/h3-11H,12H2,1-2H3,(H,23,28)(H,30,31)