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

Systemtic Name: [(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27N3O4 MolecularWeight: 373.44608

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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)NC(C)(C)C

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(C)C

InChI

InChI=1S/C20H27N3O4/c1-12(2)11-23-18(25)15-10-8-7-9-14(15)16(22-23)19(26)27-13(3)17(24)21-20(4,5)6/h7-10,12-13H,11H2,1-6H3,(H,21,24)/t13-/m1/s1