[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenyl-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-phenyl-ethyl] ester Formula: C27H21ClF3N3O4 MolecularWeight: 543.92155

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

InChI=1S/C27H21ClF3N3O4/c1-2-14-34-25(36)19-11-7-6-10-18(19)22(33-34)26(37)38-23(16-8-4-3-5-9-16)24(35)32-21-15-17(27(29,30)31)12-13-20(21)28/h3-13,15,23H,2,14H2,1H3,(H,32,35)