[1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methylphenyl)-1-oxopropan-2-yl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H22N2O4/c1-4-13-24-21(26)18-8-6-5-7-17(18)19(23-24)22(27)28-15(3)20(25)16-11-9-14(2)10-12-16/h5-12,15H,4,13H2,1-3H3