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

Systemtic Name: (3-methylphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: m-tolyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (3-methylphenyl) ester IUPAC Name: (3-methylphenyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid m-tolyl ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC(=C3)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC3=CC=CC(=C3)C

InChI

InChI=1S/C20H20N2O3/c1-3-4-12-22-19(23)17-11-6-5-10-16(17)18(21-22)20(24)25-15-9-7-8-14(2)13-15/h5-11,13H,3-4,12H2,1-2H3