(3-methylphenyl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-methylphenyl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: m-tolylmethyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (3-methylphenyl)methyl ester IUPAC Name: (3-methylphenyl)methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (3-methylbenzyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC(=C3)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC=CC(=C3)C

InChI

InChI=1S/C21H22N2O3/c1-3-4-12-23-20(24)18-11-6-5-10-17(18)19(22-23)21(25)26-14-16-9-7-8-15(2)13-16/h5-11,13H,3-4,12,14H2,1-2H3