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

Systemtic Name: prop-2-enyl (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: allyl (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyanoacetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2R)-2-cyano-2-[3-(4-piperonylpiperazino)quinoxalin-2-yl]acetic acid allyl ester Formula: C26H25N5O4 MolecularWeight: 471.5078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O4/c1-2-13-33-26(32)19(15-27)24-25(29-21-6-4-3-5-20(21)28-24)31-11-9-30(10-12-31)16-18-7-8-22-23(14-18)35-17-34-22/h2-8,14,19H,1,9-13,16-17H2/t19-/m0/s1