[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H21N3O4 MolecularWeight: 367.39844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=CN3

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)C3=CC=CN3

InChI

InChI=1S/C20H21N3O4/c1-2-3-6-12-23-19(25)15-9-5-4-8-14(15)18(22-23)20(26)27-13-17(24)16-10-7-11-21-16/h4-5,7-11,21H,2-3,6,12-13H2,1H3