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

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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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)NCC=C

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4/c1-5-10-20-17(23)13(4)26-19(25)16-14-8-6-7-9-15(14)18(24)22(21-16)11-12(2)3/h5-9,12-13H,1,10-11H2,2-4H3,(H,20,23)/t13-/m1/s1