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

Systemtic Name: methyl 2-cyano-2-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-(4-pyridylmethyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(pyridin-4-ylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(4-pyridylmethyl)piperazino]quinoxalin-2-yl]acetic acid methyl ester Formula: C22H22N6O2 MolecularWeight: 402.44908

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C22H22N6O2/c1-30-22(29)17(14-23)20-21(26-19-5-3-2-4-18(19)25-20)28-12-10-27(11-13-28)15-16-6-8-24-9-7-16/h2-9,17H,10-13,15H2,1H3