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

Systemtic Name: propan-2-yl (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: isopropyl (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazino]quinoxalin-2-yl]acetic acid isopropyl ester Formula: C24H24FN5O2 MolecularWeight: 433.478063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)OC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H24FN5O2/c1-16(2)32-24(31)19(15-26)22-23(28-21-6-4-3-5-20(21)27-22)30-13-11-29(12-14-30)18-9-7-17(25)8-10-18/h3-10,16,19H,11-14H2,1-2H3/t19-/m1/s1