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

Systemtic Name: (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-hexyl-ethanamide Openeye Name: (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-hexyl-acetamide CAS Name: (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyano-N-hexylacetamide IUPAC Name: (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-N-hexylacetamide Traditional Name: (2R)-2-cyano-N-hexyl-2-[3-(4-piperonylpiperazino)quinoxalin-2-yl]acetamide Formula: C29H34N6O3 MolecularWeight: 514.61866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCNC(=O)[C@@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H34N6O3/c1-2-3-4-7-12-31-29(36)22(18-30)27-28(33-24-9-6-5-8-23(24)32-27)35-15-13-34(14-16-35)19-21-10-11-25-26(17-21)38-20-37-25/h5-6,8-11,17,22H,2-4,7,12-16,19-20H2,1H3,(H,31,36)/t22-/m0/s1