4-oxidanylidene-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[3-[oxo-[3-(trifluoromethyl)anilino]methyl]phenyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]-3H-phthalazine-1-carboxamide Formula: C23H15F3N4O3 MolecularWeight: 452.38541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C23H15F3N4O3/c24-23(25,26)14-6-4-8-16(12-14)27-20(31)13-5-3-7-15(11-13)28-22(33)19-17-9-1-2-10-18(17)21(32)30-29-19/h1-12H,(H,27,31)(H,28,33)(H,30,32)