methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyanoacetic acid methyl ester IUPAC Name: methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-[4-(3-chlorophenyl)piperazino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H20ClN5O2/c1-30-22(29)17(14-24)20-21(26-19-8-3-2-7-18(19)25-20)28-11-9-27(10-12-28)16-6-4-5-15(23)13-16/h2-8,13,17H,9-12H2,1H3