methyl 2-cyano-2-[3-(3-piperidin-1-ylpropylamino)quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-(3-piperidin-1-ylpropylamino)quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[3-(1-piperidyl)propylamino]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[3-(1-piperidinyl)propylamino]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(3-piperidin-1-ylpropylamino)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(3-piperidinopropylamino)quinoxalin-2-yl]acetic acid methyl ester Formula: C20H25N5O2 MolecularWeight: 367.4448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCCN3CCCCC3

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1NCCCN3CCCCC3

InChI

InChI=1S/C20H25N5O2/c1-27-20(26)15(14-21)18-19(24-17-9-4-3-8-16(17)23-18)22-10-7-13-25-11-5-2-6-12-25/h3-4,8-9,15H,2,5-7,10-13H2,1H3,(H,22,24)