heptyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: heptyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: heptyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid heptyl ester IUPAC Name: heptyl 2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(4-fluorophenyl)piperazino]quinoxalin-2-yl]acetic acid heptyl ester Formula: C28H32FN5O2 MolecularWeight: 489.584383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H32FN5O2/c1-2-3-4-5-8-19-36-28(35)23(20-30)26-27(32-25-10-7-6-9-24(25)31-26)34-17-15-33(16-18-34)22-13-11-21(29)12-14-22/h6-7,9-14,23H,2-5,8,15-19H2,1H3