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

Systemtic Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-phenethyl-ethanamide Openeye Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-phenethyl-acetamide CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyano-N-phenethylacetamide IUPAC Name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-phenethylacetamide Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]quinoxalin-2-yl]-2-cyano-N-phenethyl-acetamide Formula: C29H27ClN6O MolecularWeight: 511.01728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C29H27ClN6O/c30-22-9-6-10-23(19-22)35-15-17-36(18-16-35)28-27(33-25-11-4-5-12-26(25)34-28)24(20-31)29(37)32-14-13-21-7-2-1-3-8-21/h1-12,19,24H,13-18H2,(H,32,37)