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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CN(CC1=CN(N=C1)C2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C22H19N5O4/c1-25(12-15-11-23-26(13-15)16-7-3-2-4-8-16)19(28)14-27-21(29)18-10-6-5-9-17(18)20(24-27)22(30)31/h2-11,13H,12,14H2,1H3,(H,30,31)