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

Systemtic Name: cyclohexyl (2S)-2-cyano-2-[3-[(3S)-3-methylpiperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: cyclohexyl (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 cyclohexyl ester IUPAC Name: cyclohexyl (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 cyclohexyl ester Formula: C23H28N4O2 MolecularWeight: 392.49402

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OC4CCCCC4

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)OC4CCCCC4

InChI

InChI=1S/C23H28N4O2/c1-16-8-7-13-27(15-16)22-21(25-19-11-5-6-12-20(19)26-22)18(14-24)23(28)29-17-9-3-2-4-10-17/h5-6,11-12,16-18H,2-4,7-10,13,15H2,1H3/t16-,18+/m0/s1