[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] 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(C)N)C#N

Isomeric SMILES

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

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/h6-7,9-10H,3-5,8,11,13,23H2,1-2H3/b17-14+