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

Systemtic Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]-N-prop-2-enyl-ethanamide Openeye Name: (2S)-N-allyl-2-cyano-2-[3-[(3R,5R)-3,5-dimethyl-1-piperidyl]quinoxalin-2-yl]acetamide CAS Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-quinoxalinyl]-N-prop-2-enylacetamide IUPAC Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]-N-prop-2-enylacetamide Traditional Name: (2S)-N-allyl-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidino]quinoxalin-2-yl]acetamide Formula: C21H25N5O MolecularWeight: 363.4561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O/c1-4-9-23-21(27)16(11-22)19-20(26-12-14(2)10-15(3)13-26)25-18-8-6-5-7-17(18)24-19/h4-8,14-16H,1,9-10,12-13H2,2-3H3,(H,23,27)/t14-,15-,16-/m1/s1