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

Systemtic Name: N-butyl-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: N-butyl-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide CAS Name: N-butyl-2-cyano-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetamide IUPAC Name: N-butyl-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetamide Traditional Name: N-butyl-2-cyano-2-[3-[4-(4-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=C(C=C4)F

Isomeric SMILES

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

InChI

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