N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[(E)-(1-methylpyrazol-4-yl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-(1-methyl-4-pyrazolyl)methylideneamino]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[(E)-(1-methylpyrazol-4-yl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[(E)-(1-methylpyrazol-4-yl)methyleneamino]phthalazine-1-carboxamide Formula: C21H18N6O2 MolecularWeight: 386.40662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C=NNC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C=N1)/C=N/NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C21H18N6O2/c1-26-13-16(12-23-26)11-22-24-20(28)19-17-9-5-6-10-18(17)21(29)27(25-19)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3,(H,24,28)/b22-11+