(4-bromophenyl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-bromophenyl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-bromophenyl)methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (4-bromobenzyl) ester Formula: C22H23BrN2O3 MolecularWeight: 443.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN2O3/c1-2-3-4-7-14-25-21(26)19-9-6-5-8-18(19)20(24-25)22(27)28-15-16-10-12-17(23)13-11-16/h5-6,8-13H,2-4,7,14-15H2,1H3