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

Systemtic Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide CAS Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide Traditional Name: (2S)-N-butyl-2-cyano-2-[3-[4-(2-fluorophenyl)piperazino]quinoxalin-2-yl]acetamide Formula: C25H27FN6O MolecularWeight: 446.519883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4F

Isomeric SMILES

CCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4F

InChI

InChI=1S/C25H27FN6O/c1-2-3-12-28-25(33)18(17-27)23-24(30-21-10-6-5-9-20(21)29-23)32-15-13-31(14-16-32)22-11-7-4-8-19(22)26/h4-11,18H,2-3,12-16H2,1H3,(H,28,33)/t18-/m1/s1