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

Systemtic Name: (phenylmethyl) (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: benzyl (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 (phenylmethyl) ester IUPAC Name: benzyl (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 benzyl ester Formula: C24H24N4O2 MolecularWeight: 400.47296

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C24H24N4O2/c1-17-8-7-13-28(15-17)23-22(26-20-11-5-6-12-21(20)27-23)19(14-25)24(29)30-16-18-9-3-2-4-10-18/h2-6,9-12,17,19H,7-8,13,15-16H2,1H3/t17-,19+/m0/s1