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

Systemtic Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [2-[4-(4-fluorophenyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-[4-(4-fluorophenyl)piperazino]-2-keto-ethyl] ester Formula: C27H31FN4O4 MolecularWeight: 494.557843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H31FN4O4/c1-2-3-4-7-14-32-26(34)23-9-6-5-8-22(23)25(29-32)27(35)36-19-24(33)31-17-15-30(16-18-31)21-12-10-20(28)11-13-21/h5-6,8-13H,2-4,7,14-19H2,1H3