[(1R)-1-cyanoethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [(1R)-1-cyanoethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [(1R)-1-cyanoethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [(1R)-1-cyanoethyl] ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3/c1-3-4-7-10-20-16(21)14-9-6-5-8-13(14)15(19-20)17(22)23-12(2)11-18/h5-6,8-9,12H,3-4,7,10H2,1-2H3/t12-/m1/s1