methyl 2-cyano-2-[3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[[6-(4-methylpiperazino)-3-pyridyl]methylamino]quinoxalin-2-yl]acetic acid methyl ester Formula: C23H25N7O2 MolecularWeight: 431.4903

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC

InChI

InChI=1S/C23H25N7O2/c1-29-9-11-30(12-10-29)20-8-7-16(14-25-20)15-26-22-21(17(13-24)23(31)32-2)27-18-5-3-4-6-19(18)28-22/h3-8,14,17H,9-12,15H2,1-2H3,(H,26,28)