[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[4-(2,3-dimethylphenyl)piperazino]-2-keto-ethyl] ester Formula: C23H24N4O4 MolecularWeight: 420.46106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)COC(=O)C3=NNC(=O)C4=CC=CC=C43)C

InChI

InChI=1S/C23H24N4O4/c1-15-6-5-9-19(16(15)2)26-10-12-27(13-11-26)20(28)14-31-23(30)21-17-7-3-4-8-18(17)22(29)25-24-21/h3-9H,10-14H2,1-2H3,(H,25,29)