[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)[C@H](C#N)C(=N)C

InChI

InChI=1S/C19H20N4O4/c1-3-4-9-23-18(25)14-8-6-5-7-13(14)17(22-23)19(26)27-11-16(24)15(10-20)12(2)21/h5-8,15,21H,3-4,9,11H2,1-2H3/t15-/m1/s1