(2-chloranyl-5-methyl-phenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2-chloranyl-5-methyl-phenyl) 3-(2-methylpropyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2-chloro-5-methyl-phenyl) 3-isobutyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-methylpropyl)-4-oxo-1-phthalazinecarboxylic acid (2-chloro-5-methylphenyl) ester IUPAC Name: (2-chloro-5-methylphenyl) 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-isobutyl-4-keto-phthalazine-1-carboxylic acid (2-chloro-5-methyl-phenyl) ester Formula: C20H19ClN2O3 MolecularWeight: 370.82946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC(C)C

InChI

InChI=1S/C20H19ClN2O3/c1-12(2)11-23-19(24)15-7-5-4-6-14(15)18(22-23)20(25)26-17-10-13(3)8-9-16(17)21/h4-10,12H,11H2,1-3H3