(2,3,6-trimethylphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-5-6-13-24-21(25)18-10-8-7-9-17(18)19(23-24)22(26)27-20-15(3)12-11-14(2)16(20)4/h7-12H,5-6,13H2,1-4H3