[(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2R)-1-[(3-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(3-fluoroanilino)-1-methyl-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-(3-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)F

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)F)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C22H22FN3O4/c1-13(2)12-26-21(28)18-10-5-4-9-17(18)19(25-26)22(29)30-14(3)20(27)24-16-8-6-7-15(23)11-16/h4-11,13-14H,12H2,1-3H3,(H,24,27)/t14-/m1/s1