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

Systemtic Name: [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C22H22FN3O4 MolecularWeight: 411.426183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC(C)C3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

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