2-cyano-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]quinoxalin-2-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-cyano-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]quinoxalin-2-yl]-N-phenethyl-ethanamide Openeye Name: 2-cyano-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]quinoxalin-2-yl]-N-phenethyl-acetamide CAS Name: 2-cyano-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-2-quinoxalinyl]-N-phenethylacetamide IUPAC Name: 2-cyano-2-[3-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]quinoxalin-2-yl]-N-phenethylacetamide Traditional Name: 2-cyano-N-phenethyl-2-[3-(4-veratrylpiperazino)quinoxalin-2-yl]acetamide Formula: C32H34N6O3 MolecularWeight: 550.65076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)NCCC5=CC=CC=C5)OC

InChI

InChI=1S/C32H34N6O3/c1-40-28-13-12-24(20-29(28)41-2)22-37-16-18-38(19-17-37)31-30(35-26-10-6-7-11-27(26)36-31)25(21-33)32(39)34-15-14-23-8-4-3-5-9-23/h3-13,20,25H,14-19,22H2,1-2H3,(H,34,39)