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

Systemtic Name: cyclohexyl (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: cyclohexyl (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 cyclohexyl ester IUPAC Name: cyclohexyl (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 cyclohexyl ester Formula: C27H28FN5O2 MolecularWeight: 473.541923

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C27H28FN5O2/c28-19-10-12-20(13-11-19)32-14-16-33(17-15-32)26-25(30-23-8-4-5-9-24(23)31-26)22(18-29)27(34)35-21-6-2-1-3-7-21/h4-5,8-13,21-22H,1-3,6-7,14-17H2/t22-/m1/s1