cyclohexyl (2R)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: cyclohexyl (2R)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: cyclohexyl (2R)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: (2R)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl (2R)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2R)-2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazino]quinoxalin-2-yl]acetic acid cyclohexyl ester Formula: C29H33N5O2 MolecularWeight: 483.60462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC5CCCCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3[C@H](C#N)C(=O)OC5CCCCC5)C

InChI

InChI=1S/C29H33N5O2/c1-20-9-8-14-26(21(20)2)33-15-17-34(18-16-33)28-27(31-24-12-6-7-13-25(24)32-28)23(19-30)29(35)36-22-10-4-3-5-11-22/h6-9,12-14,22-23H,3-5,10-11,15-18H2,1-2H3/t23-/m0/s1