(3,5-dimethylphenyl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3,5-dimethylphenyl)methyl 3-butyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3,5-dimethylphenyl)methyl 3-butyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-butyl-4-oxo-1-phthalazinecarboxylic acid (3,5-dimethylphenyl)methyl ester IUPAC Name: (3,5-dimethylphenyl)methyl 3-butyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-butyl-4-keto-phthalazine-1-carboxylic acid (3,5-dimethylbenzyl) 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)OCC3=CC(=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3/c1-4-5-10-24-21(25)19-9-7-6-8-18(19)20(23-24)22(26)27-14-17-12-15(2)11-16(3)13-17/h6-9,11-13H,4-5,10,14H2,1-3H3