[2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-[[2,6-bis(chloranyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-(2,6-dichloroanilino)-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-(2,6-dichloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloroanilino)-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-(2,6-dichloroanilino)-2-keto-ethyl] ester Formula: C22H21Cl2N3O4 MolecularWeight: 462.32584

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O4/c1-2-3-6-12-27-21(29)15-9-5-4-8-14(15)19(26-27)22(30)31-13-18(28)25-20-16(23)10-7-11-17(20)24/h4-5,7-11H,2-3,6,12-13H2,1H3,(H,25,28)