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

Systemtic Name: [2-[(3-fluoranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: [2-(3-fluoro-4-methyl-anilino)-2-oxo-ethyl] 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid [2-(3-fluoro-4-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methylanilino)-2-oxoethyl] 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid [2-(3-fluoro-4-methyl-anilino)-2-keto-ethyl] ester Formula: C25H20FN3O4 MolecularWeight: 445.442403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)F

InChI

InChI=1S/C25H20FN3O4/c1-16-11-12-18(13-21(16)26)27-22(30)15-33-25(32)23-19-9-5-6-10-20(19)24(31)29(28-23)14-17-7-3-2-4-8-17/h2-13H,14-15H2,1H3,(H,27,30)