(4-bromanyl-2-chloranyl-6-methyl-phenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C20H18BrClN2O3 MolecularWeight: 449.72552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3C)Br)Cl

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=C(C=C(C=C3C)Br)Cl

InChI

InChI=1S/C20H18BrClN2O3/c1-3-4-9-24-19(25)15-8-6-5-7-14(15)17(23-24)20(26)27-18-12(2)10-13(21)11-16(18)22/h5-8,10-11H,3-4,9H2,1-2H3