2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[1-oxidanylidene-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[1-oxo-4-(4-pyridylmethyl)phthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[1-oxo-4-(pyridin-4-ylmethyl)-2-phthalazinyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[1-oxo-4-(pyridin-4-ylmethyl)phthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[1-keto-4-(4-pyridylmethyl)phthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C23H17F3N4O2 MolecularWeight: 438.40189

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC(=C3)C(F)(F)F)CC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)NC3=CC=CC(=C3)C(F)(F)F)CC4=CC=NC=C4

InChI

InChI=1S/C23H17F3N4O2/c24-23(25,26)16-4-3-5-17(13-16)28-21(31)14-30-22(32)19-7-2-1-6-18(19)20(29-30)12-15-8-10-27-11-9-15/h1-11,13H,12,14H2,(H,28,31)