[(1S)-1-cyanoethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-1-cyanoethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [(1S)-1-cyanoethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C#N

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@@H](C)C#N

InChI

InChI=1S/C18H21N3O3/c1-3-4-5-8-11-21-17(22)15-10-7-6-9-14(15)16(20-21)18(23)24-13(2)12-19/h6-7,9-10,13H,3-5,8,11H2,1-2H3/t13-/m0/s1