N-[(E)-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(E)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(E)-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(E)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-4-keto-3H-phthalazine-1-carboxamide Formula: C22H20N6O2 MolecularWeight: 400.4332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C=NNC(=O)C3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)/C=N/NC(=O)C3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C22H20N6O2/c1-14-19(15(2)28(27-14)13-16-8-4-3-5-9-16)12-23-25-22(30)20-17-10-6-7-11-18(17)21(29)26-24-20/h3-12H,13H2,1-2H3,(H,25,30)(H,26,29)/b23-12+