[2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-(3-chloro-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C22H21ClFN3O4 MolecularWeight: 445.871243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H21ClFN3O4/c1-2-3-6-11-27-21(29)16-8-5-4-7-15(16)20(26-27)22(30)31-13-19(28)25-14-9-10-18(24)17(23)12-14/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,25,28)