N-[[[3-(cyanomethyl)quinoxalin-2-yl]-octan-3-yl-amino]methyl]propanamide

Systemtic Name: N-[[[3-(cyanomethyl)quinoxalin-2-yl]-octan-3-yl-amino]methyl]propanamide Openeye Name: N-[[[3-(cyanomethyl)quinoxalin-2-yl]-(1-ethylhexyl)amino]methyl]propanamide CAS Name: N-[[[3-(cyanomethyl)-2-quinoxalinyl]-octan-3-ylamino]methyl]propanamide IUPAC Name: N-[[[3-(cyanomethyl)quinoxalin-2-yl]-octan-3-ylamino]methyl]propanamide Traditional Name: N-[[[3-(cyanomethyl)quinoxalin-2-yl]-(1-ethylhexyl)amino]methyl]propionamide Formula: C22H31N5O MolecularWeight: 381.51444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)N(CNC(=O)CC)C1=NC2=CC=CC=C2N=C1CC#N

Isomeric SMILES

CCCCCC(CC)N(CNC(=O)CC)C1=NC2=CC=CC=C2N=C1CC#N

InChI

InChI=1S/C22H31N5O/c1-4-7-8-11-17(5-2)27(16-24-21(28)6-3)22-20(14-15-23)25-18-12-9-10-13-19(18)26-22/h9-10,12-13,17H,4-8,11,14,16H2,1-3H3,(H,24,28)