3-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]phthalazine-1-carboxylate Formula: C21H16N5O4- MolecularWeight: 402.38284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O4/c1-13-11-17(26(23-13)14-7-3-2-4-8-14)22-18(27)12-25-20(28)16-10-6-5-9-15(16)19(24-25)21(29)30/h2-11H,12H2,1H3,(H,22,27)(H,29,30)/p-1