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

Systemtic Name: 1-methoxypropan-2-yl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: (2-methoxy-1-methyl-ethyl) 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 1-methoxypropan-2-yl ester IUPAC Name: 1-methoxypropan-2-yl 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 (2-methoxy-1-methyl-ethyl) ester Formula: C25H26ClN5O3 MolecularWeight: 479.95864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClN5O3/c1-17(16-33-2)34-25(32)20(15-27)23-24(29-22-9-4-3-8-21(22)28-23)31-12-10-30(11-13-31)19-7-5-6-18(26)14-19/h3-9,14,17,20H,10-13,16H2,1-2H3