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

Systemtic Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide CAS Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide Traditional Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(2-fluorophenyl)piperazino]quinoxalin-2-yl]acetamide Formula: C27H29FN6O MolecularWeight: 472.557163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5F

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5F

InChI

InChI=1S/C27H29FN6O/c28-21-10-4-7-13-24(21)33-14-16-34(17-15-33)26-25(31-22-11-5-6-12-23(22)32-26)20(18-29)27(35)30-19-8-2-1-3-9-19/h4-7,10-13,19-20H,1-3,8-9,14-17H2,(H,30,35)/t20-/m1/s1