cyclohexyl (2R)-2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: cyclohexyl (2R)-2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: cyclohexyl (2R)-2-[3-(4-benzyl-1-piperidyl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2R)-2-cyano-2-[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl (2R)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2R)-2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-2-cyano-acetic acid cyclohexyl ester Formula: C29H32N4O2 MolecularWeight: 468.58998

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H32N4O2/c30-20-24(29(34)35-23-11-5-2-6-12-23)27-28(32-26-14-8-7-13-25(26)31-27)33-17-15-22(16-18-33)19-21-9-3-1-4-10-21/h1,3-4,7-10,13-14,22-24H,2,5-6,11-12,15-19H2/t24-/m0/s1