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

Systemtic Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-(phenylmethyl)ethanamide Openeye Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-N-benzyl-2-cyano-acetamide CAS Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyano-N-(phenylmethyl)acetamide IUPAC Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-N-benzyl-2-cyanoacetamide Traditional Name: N-benzyl-2-cyano-2-[3-(4-piperonylpiperazino)quinoxalin-2-yl]acetamide Formula: C30H28N6O3 MolecularWeight: 520.58172

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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)NCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC5=CC=CC=C5N=C4C(C#N)C(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C30H28N6O3/c31-17-23(30(37)32-18-21-6-2-1-3-7-21)28-29(34-25-9-5-4-8-24(25)33-28)36-14-12-35(13-15-36)19-22-10-11-26-27(16-22)39-20-38-26/h1-11,16,23H,12-15,18-20H2,(H,32,37)