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

Systemtic Name: (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]-N-phenethyl-ethanamide Openeye Name: (2S)-2-cyano-2-[3-[(3S)-3-methyl-1-piperidyl]quinoxalin-2-yl]-N-phenethyl-acetamide CAS Name: (2S)-2-cyano-2-[3-[(3S)-3-methyl-1-piperidinyl]-2-quinoxalinyl]-N-phenethylacetamide IUPAC Name: (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]-N-phenethylacetamide Traditional Name: (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidino]quinoxalin-2-yl]-N-phenethyl-acetamide Formula: C25H27N5O MolecularWeight: 413.51478

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H27N5O/c1-18-8-7-15-30(17-18)24-23(28-21-11-5-6-12-22(21)29-24)20(16-26)25(31)27-14-13-19-9-3-2-4-10-19/h2-6,9-12,18,20H,7-8,13-15,17H2,1H3,(H,27,31)/t18-,20+/m0/s1