N-[2,4-bis(fluoranyl)phenyl]-3-(4-chlorophenyl)-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-3-(4-chlorophenyl)-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-(4-chlorophenyl)-N-(2,4-difluorophenyl)-4-oxo-phthalazine-1-carboxamide CAS Name: 3-(4-chlorophenyl)-N-(2,4-difluorophenyl)-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-(4-chlorophenyl)-N-(2,4-difluorophenyl)-4-oxophthalazine-1-carboxamide Traditional Name: 3-(4-chlorophenyl)-N-(2,4-difluorophenyl)-4-keto-phthalazine-1-carboxamide Formula: C21H12ClF2N3O2 MolecularWeight: 411.788686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H12ClF2N3O2/c22-12-5-8-14(9-6-12)27-21(29)16-4-2-1-3-15(16)19(26-27)20(28)25-18-10-7-13(23)11-17(18)24/h1-11H,(H,25,28)