[2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: [2-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxo-ethyl] 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-ethyl] ester Formula: C23H21ClF3N3O4 MolecularWeight: 495.87875

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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(=C3)C(F)(F)F)Cl

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C23H21ClF3N3O4/c1-2-3-6-11-30-21(32)16-8-5-4-7-15(16)20(29-30)22(33)34-13-19(31)28-18-12-14(23(25,26)27)9-10-17(18)24/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H,28,31)