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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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