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

Systemtic Name: [2-[[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[[2-(4-fluoroanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(4-fluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-[[2-(4-fluoroanilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C25H27FN4O5 MolecularWeight: 482.504083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C25H27FN4O5/c1-2-3-4-7-14-30-24(33)20-9-6-5-8-19(20)23(29-30)25(34)35-16-22(32)27-15-21(31)28-18-12-10-17(26)11-13-18/h5-6,8-13H,2-4,7,14-16H2,1H3,(H,27,32)(H,28,31)