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

Systemtic Name: cyclohexyl (2R)-2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: cyclohexyl (2R)-2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: (2R)-2-cyano-2-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl (2R)-2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: (2R)-2-cyano-2-[3-(4-phenylpiperazino)quinoxalin-2-yl]acetic acid cyclohexyl ester Formula: C27H29N5O2 MolecularWeight: 455.55146

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)OC(=O)[C@@H](C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H29N5O2/c28-19-22(27(33)34-21-11-5-2-6-12-21)25-26(30-24-14-8-7-13-23(24)29-25)32-17-15-31(16-18-32)20-9-3-1-4-10-20/h1,3-4,7-10,13-14,21-22H,2,5-6,11-12,15-18H2/t22-/m0/s1