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

Systemtic Name: prop-2-enyl (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: allyl (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethyl-1-piperidyl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-quinoxalinyl]acetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[(3R,5R)-3,5-dimethylpiperidino]quinoxalin-2-yl]acetic acid allyl ester Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2/c1-4-9-27-21(26)16(11-22)19-20(25-12-14(2)10-15(3)13-25)24-18-8-6-5-7-17(18)23-19/h4-8,14-16H,1,9-10,12-13H2,2-3H3/t14-,15-,16-/m1/s1