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

Systemtic Name: methyl (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O2/c1-12-6-5-9-22(11-12)17-16(13(10-19)18(23)24-2)20-14-7-3-4-8-15(14)21-17/h3-4,7-8,12-13H,5-6,9,11H2,1-2H3/t12-,13+/m0/s1