(2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]-N-phenethyl-ethanamide

Systemtic Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]-N-phenethyl-ethanamide Openeye Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethyl-1-piperidyl]quinoxalin-2-yl]-N-phenethyl-acetamide CAS Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-quinoxalinyl]-N-phenethylacetamide IUPAC Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]-N-phenethylacetamide Traditional Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidino]quinoxalin-2-yl]-N-phenethyl-acetamide Formula: C26H29N5O MolecularWeight: 427.54136

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O/c1-18-14-19(2)17-31(16-18)25-24(29-22-10-6-7-11-23(22)30-25)21(15-27)26(32)28-13-12-20-8-4-3-5-9-20/h3-11,18-19,21H,12-14,16-17H2,1-2H3,(H,28,32)/t18-,19-,21-/m1/s1