[2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [2-[[1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [2-[[1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-amino]-2-oxo-ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [2-[[1-(2-chlorophenyl)-2-keto-cyclohexyl]-methyl-amino]-2-keto-ethyl] ester Formula: C24H22ClN3O5 MolecularWeight: 467.90158

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21)C3(CCCCC3=O)C4=CC=CC=C4Cl

Isomeric SMILES

CN(C(=O)COC(=O)C1=NNC(=O)C2=CC=CC=C21)C3(CCCCC3=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C24H22ClN3O5/c1-28(24(13-7-6-12-19(24)29)17-10-4-5-11-18(17)25)20(30)14-33-23(32)21-15-8-2-3-9-16(15)22(31)27-26-21/h2-5,8-11H,6-7,12-14H2,1H3,(H,27,31)