methyl 2-cyano-2-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[[2-(1-piperidylmethyl)phenyl]methylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[[2-(1-piperidinylmethyl)phenyl]methylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[[2-(piperidin-1-ylmethyl)phenyl]methylamino]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[[2-(piperidinomethyl)benzyl]amino]quinoxalin-2-yl]acetic acid methyl ester Formula: C25H27N5O2 MolecularWeight: 429.51418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC3=CC=CC=C3CN4CCCCC4

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCC3=CC=CC=C3CN4CCCCC4

InChI

InChI=1S/C25H27N5O2/c1-32-25(31)20(15-26)23-24(29-22-12-6-5-11-21(22)28-23)27-16-18-9-3-4-10-19(18)17-30-13-7-2-8-14-30/h3-6,9-12,20H,2,7-8,13-14,16-17H2,1H3,(H,27,29)