[2-oxidanylidene-2-(4-propylphenyl)ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] 3-ethyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] 3-ethyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-ethyl-4-oxo-1-phthalazinecarboxylic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] 3-ethyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-ethyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC

InChI

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