2-[4-(4-fluorophenyl)-1-oxidanylidene-phthalazin-2-yl]-N-[(E)-4-methylpentan-2-ylideneamino]ethanamide

Systemtic Name: 2-[4-(4-fluorophenyl)-1-oxidanylidene-phthalazin-2-yl]-N-[(E)-4-methylpentan-2-ylideneamino]ethanamide Openeye Name: N-[(E)-1,3-dimethylbutylideneamino]-2-[4-(4-fluorophenyl)-1-oxo-phthalazin-2-yl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-oxo-2-phthalazinyl]-N-[(E)-4-methylpentan-2-ylideneamino]acetamide IUPAC Name: 2-[4-(4-fluorophenyl)-1-oxophthalazin-2-yl]-N-[(E)-4-methylpentan-2-ylideneamino]acetamide Traditional Name: N-[(E)-1,3-dimethylbutylideneamino]-2-[4-(4-fluorophenyl)-1-keto-phthalazin-2-yl]acetamide Formula: C22H23FN4O2 MolecularWeight: 394.442023

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=NNC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC(C)C/C(=N/NC(=O)CN1C(=O)C2=CC=CC=C2C(=N1)C3=CC=C(C=C3)F)/C

InChI

InChI=1S/C22H23FN4O2/c1-14(2)12-15(3)24-25-20(28)13-27-22(29)19-7-5-4-6-18(19)21(26-27)16-8-10-17(23)11-9-16/h4-11,14H,12-13H2,1-3H3,(H,25,28)/b24-15+