[(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(3R)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(3R)-3-cyano-4-imino-2-oxo-pentyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [(3R)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3R)-3-cyano-4-imino-2-oxopentyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [(3R)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-3-4-5-8-11-25-20(27)16-10-7-6-9-15(16)19(24-25)21(28)29-13-18(26)17(12-22)14(2)23/h6-7,9-10,17,23H,3-5,8,11,13H2,1-2H3/t17-/m0/s1