(2S)-N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanamide

Systemtic Name: (2S)-N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanamide Openeye Name: (2S)-N-butyl-2-cyano-2-[3-(1-piperidyl)quinoxalin-2-yl]acetamide CAS Name: (2S)-N-butyl-2-cyano-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetamide IUPAC Name: (2S)-N-butyl-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide Traditional Name: (2S)-N-butyl-2-cyano-2-(3-piperidinoquinoxalin-2-yl)acetamide Formula: C20H25N5O MolecularWeight: 351.4454

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3

Isomeric SMILES

CCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3

InChI

InChI=1S/C20H25N5O/c1-2-3-11-22-20(26)15(14-21)18-19(25-12-7-4-8-13-25)24-17-10-6-5-9-16(17)23-18/h5-6,9-10,15H,2-4,7-8,11-13H2,1H3,(H,22,26)/t15-/m1/s1