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

Systemtic Name: ethyl (2S)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: ethyl (2S)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2S)-2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2S)-2-[3-[4-(3-chlorophenyl)piperazino]quinoxalin-2-yl]-2-cyano-acetic acid ethyl ester Formula: C23H22ClN5O2 MolecularWeight: 435.90608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C23H22ClN5O2/c1-2-31-23(30)18(15-25)21-22(27-20-9-4-3-8-19(20)26-21)29-12-10-28(11-13-29)17-7-5-6-16(24)14-17/h3-9,14,18H,2,10-13H2,1H3/t18-/m1/s1