[2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-[[4-(methylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-[4-(methylcarbamoyl)anilino]-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-keto-2-[4-(methylcarbamoyl)anilino]ethyl] ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)NC

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=C(C=C3)C(=O)NC

InChI

InChI=1S/C22H22N4O5/c1-13(2)26-21(29)17-7-5-4-6-16(17)19(25-26)22(30)31-12-18(27)24-15-10-8-14(9-11-15)20(28)23-3/h4-11,13H,12H2,1-3H3,(H,23,28)(H,24,27)