(2S)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-cyclohexyl-ethanamide

Systemtic Name: (2S)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-cyclohexyl-ethanamide Openeye Name: (2S)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-cyclohexyl-acetamide CAS Name: (2S)-2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyano-N-cyclohexylacetamide IUPAC Name: (2S)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-cyclohexylacetamide Traditional Name: (2S)-2-[3-[4-(3-chlorophenyl)piperazino]quinoxalin-2-yl]-2-cyano-N-cyclohexyl-acetamide Formula: C27H29ClN6O MolecularWeight: 489.01176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29ClN6O/c28-19-7-6-10-21(17-19)33-13-15-34(16-14-33)26-25(31-23-11-4-5-12-24(23)32-26)22(18-29)27(35)30-20-8-2-1-3-9-20/h4-7,10-12,17,20,22H,1-3,8-9,13-16H2,(H,30,35)/t22-/m1/s1