2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-phenethyl-ethanamide

Systemtic Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-phenethyl-ethanamide Openeye Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-phenethyl-acetamide CAS Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyano-N-phenethylacetamide IUPAC Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-phenethylacetamide Traditional Name: 2-cyano-N-phenethyl-2-[3-(4-piperonylpiperazino)quinoxalin-2-yl]acetamide Formula: C31H30N6O3 MolecularWeight: 534.6083

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4C(C#N)C(=O)NCCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4C(C#N)C(=O)NCCC6=CC=CC=C6

InChI

InChI=1S/C31H30N6O3/c32-19-24(31(38)33-13-12-22-6-2-1-3-7-22)29-30(35-26-9-5-4-8-25(26)34-29)37-16-14-36(15-17-37)20-23-10-11-27-28(18-23)40-21-39-27/h1-11,18,24H,12-17,20-21H2,(H,33,38)