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

Systemtic Name: [2-[[3,5-bis(chloranyl)pyridin-2-yl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-[(3,5-dichloro-2-pyridyl)amino]-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-[(3,5-dichloro-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3,5-dichloropyridin-2-yl)amino]-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-[(3,5-dichloro-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C21H20Cl2N4O4 MolecularWeight: 463.3139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=C(C=N3)Cl)Cl

InChI

InChI=1S/C21H20Cl2N4O4/c1-2-3-6-9-27-20(29)15-8-5-4-7-14(15)18(26-27)21(30)31-12-17(28)25-19-16(23)10-13(22)11-24-19/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3,(H,24,25,28)