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

Systemtic Name: (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-N-pentyl-ethanamide Openeye Name: (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-N-pentyl-acetamide CAS Name: (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]-N-pentylacetamide IUPAC Name: (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]-N-pentylacetamide Traditional Name: (2S)-N-amyl-2-cyano-2-[3-[4-(4-fluorophenyl)piperazino]quinoxalin-2-yl]acetamide Formula: C26H29FN6O MolecularWeight: 460.546463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29FN6O/c1-2-3-6-13-29-26(34)21(18-28)24-25(31-23-8-5-4-7-22(23)30-24)33-16-14-32(15-17-33)20-11-9-19(27)10-12-20/h4-5,7-12,21H,2-3,6,13-17H2,1H3,(H,29,34)/t21-/m1/s1