3-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)amino]methyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)amino]methyl]-2H-phthalazine-1,4-dione CAS Name: 3-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]methyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]methyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)amino]methyl]-2H-phthalazine-1,4-quinone Formula: C20H19N5O3 MolecularWeight: 377.39656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCN3C(=O)C4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NCN3C(=O)C4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C20H19N5O3/c1-13-17(20(28)25(23(13)2)14-8-4-3-5-9-14)21-12-24-19(27)16-11-7-6-10-15(16)18(26)22-24/h3-11,21H,12H2,1-2H3,(H,22,26)