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

Systemtic Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide CAS Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide Traditional Name: (2S)-2-cyano-N-cyclohexyl-2-[3-[4-(4-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=C(C=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C27H29FN6O/c28-19-10-12-21(13-11-19)33-14-16-34(17-15-33)26-25(31-23-8-4-5-9-24(23)32-26)22(18-29)27(35)30-20-6-2-1-3-7-20/h4-5,8-13,20,22H,1-3,6-7,14-17H2,(H,30,35)/t22-/m1/s1