(3-chlorophenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-chlorophenyl) 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-chlorophenyl) 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (3-chlorophenyl) ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-2-3-4-7-13-24-20(25)18-12-6-5-11-17(18)19(23-24)21(26)27-16-10-8-9-15(22)14-16/h5-6,8-12,14H,2-4,7,13H2,1H3