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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C22H22FN3O4/c1-3-4-11-26-21(28)17-8-6-5-7-16(17)20(25-26)22(29)30-13-19(27)24-15-10-9-14(2)18(23)12-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,24,27)