(2S)-N-butyl-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanamide

Systemtic Name: (2S)-N-butyl-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanamide Openeye Name: (2S)-N-butyl-2-cyano-2-[3-[(3S)-3-methyl-1-piperidyl]quinoxalin-2-yl]acetamide CAS Name: (2S)-N-butyl-2-cyano-2-[3-[(3S)-3-methyl-1-piperidinyl]-2-quinoxalinyl]acetamide IUPAC Name: (2S)-N-butyl-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetamide Traditional Name: (2S)-N-butyl-2-cyano-2-[3-[(3S)-3-methylpiperidino]quinoxalin-2-yl]acetamide Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC(C3)C

Isomeric SMILES

CCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCC[C@@H](C3)C

InChI

InChI=1S/C21H27N5O/c1-3-4-11-23-21(27)16(13-22)19-20(26-12-7-8-15(2)14-26)25-18-10-6-5-9-17(18)24-19/h5-6,9-10,15-16H,3-4,7-8,11-12,14H2,1-2H3,(H,23,27)/t15-,16+/m0/s1