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

Systemtic Name: propan-2-yl (2R)-2-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C26H27N5O4 MolecularWeight: 473.52368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O4/c1-17(2)35-26(32)19(14-27)24-25(29-21-6-4-3-5-20(21)28-24)31-11-9-30(10-12-31)15-18-7-8-22-23(13-18)34-16-33-22/h3-8,13,17,19H,9-12,15-16H2,1-2H3/t19-/m0/s1