[2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C22H21FN4O5 MolecularWeight: 440.424343

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C22H21FN4O5/c1-2-11-27-21(30)17-6-4-3-5-16(17)20(26-27)22(31)32-13-19(29)24-12-18(28)25-15-9-7-14(23)8-10-15/h3-10H,2,11-13H2,1H3,(H,24,29)(H,25,28)