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

Systemtic Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetamide CAS Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyano-N-prop-2-enylacetamide IUPAC Name: 2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-prop-2-enylacetamide Traditional Name: N-allyl-2-cyano-2-[3-(4-piperonylpiperazino)quinoxalin-2-yl]acetamide Formula: C26H26N6O3 MolecularWeight: 470.52304

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C=CCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H26N6O3/c1-2-9-28-26(33)19(15-27)24-25(30-21-6-4-3-5-20(21)29-24)32-12-10-31(11-13-32)16-18-7-8-22-23(14-18)35-17-34-22/h2-8,14,19H,1,9-13,16-17H2,(H,28,33)