2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanamide

Systemtic Name: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanamide Openeye Name: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(1-piperidyl)quinoxalin-2-yl]acetamide CAS Name: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetamide IUPAC Name: 2-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-piperidin-1-ylquinoxalin-2-yl)acetamide Traditional Name: 2-cyano-N-homoveratryl-2-(3-piperidinoquinoxalin-2-yl)acetamide Formula: C26H29N5O3 MolecularWeight: 459.54016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCCC4)OC

InChI

InChI=1S/C26H29N5O3/c1-33-22-11-10-18(16-23(22)34-2)12-13-28-26(32)19(17-27)24-25(31-14-6-3-7-15-31)30-21-9-5-4-8-20(21)29-24/h4-5,8-11,16,19H,3,6-7,12-15H2,1-2H3,(H,28,32)