[2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[[2-(cyclopropylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[2-[(cyclopropylamino)-oxomethyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-[2-(cyclopropylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C22H20N4O5 MolecularWeight: 420.418

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)NC4CC4

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=CC=CC=C3C(=O)NC4CC4

InChI

InChI=1S/C22H20N4O5/c1-26-21(29)15-7-3-2-6-14(15)19(25-26)22(30)31-12-18(27)24-17-9-5-4-8-16(17)20(28)23-13-10-11-13/h2-9,13H,10-12H2,1H3,(H,23,28)(H,24,27)