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

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-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] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)NCC=C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C)C(=O)NCC=C

InChI

InChI=1S/C20H25N3O4/c1-4-6-9-13-23-19(25)16-11-8-7-10-15(16)17(22-23)20(26)27-14(3)18(24)21-12-5-2/h5,7-8,10-11,14H,2,4,6,9,12-13H2,1,3H3,(H,21,24)/t14-/m1/s1