[2-[[3,5-bis(chloranyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: [2-[[3,5-bis(chloranyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: [2-[(3,5-dichloro-6-methyl-2-pyridyl)amino]-2-oxo-ethyl] 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid [2-[(3,5-dichloro-6-methyl-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloro-6-methylpyridin-2-yl)amino]-2-oxoethyl] 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid [2-[(3,5-dichloro-6-methyl-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C20H18Cl2N4O4 MolecularWeight: 449.28732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

Isomeric SMILES

CC1=NC(=C(C=C1Cl)Cl)NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C(C)C

InChI

InChI=1S/C20H18Cl2N4O4/c1-10(2)26-19(28)13-7-5-4-6-12(13)17(25-26)20(29)30-9-16(27)24-18-15(22)8-14(21)11(3)23-18/h4-8,10H,9H2,1-3H3,(H,23,24,27)