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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C(C#N)C(=N)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)[C@@H](C#N)C(=N)C

InChI

InChI=1S/C19H20N4O4/c1-11(2)9-23-18(25)14-7-5-4-6-13(14)17(22-23)19(26)27-10-16(24)15(8-20)12(3)21/h4-7,11,15,21H,9-10H2,1-3H3/t15-/m0/s1