N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide

Systemtic Name: N-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxamide Openeye Name: 3-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-oxo-phthalazine-1-carboxamide CAS Name: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-oxo-3-(phenylmethyl)-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-4-oxophthalazine-1-carboxamide Traditional Name: 3-benzyl-N-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-4-keto-phthalazine-1-carboxamide Formula: C22H14ClF3N4O2 MolecularWeight: 458.82037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C22H14ClF3N4O2/c23-17-10-14(22(24,25)26)11-27-19(17)28-20(31)18-15-8-4-5-9-16(15)21(32)30(29-18)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,27,28,31)