prop-2-enyl (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: prop-2-enyl (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: allyl (2S)-2-cyano-2-[3-[(3S)-3-methyl-1-piperidyl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[(3S)-3-methyl-1-piperidinyl]-2-quinoxalinyl]acetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidino]quinoxalin-2-yl]acetic acid allyl ester Formula: C20H22N4O2 MolecularWeight: 350.41428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-3-11-26-20(25)15(12-21)18-19(24-10-6-7-14(2)13-24)23-17-9-5-4-8-16(17)22-18/h3-5,8-9,14-15H,1,6-7,10-11,13H2,2H3/t14-,15+/m0/s1