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

Systemtic Name: [2-[[3,5-bis(chloranyl)-6-methyl-pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[(3,5-dichloro-6-methyl-2-pyridyl)amino]-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-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-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-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:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=C(C(=N3)C)Cl)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=C(C(=N3)C)Cl)Cl

InChI

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