prop-2-enyl (2R)-2-cyano-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: prop-2-enyl (2R)-2-cyano-2-[3-[4-(phenylmethyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: allyl (2R)-2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2R)-2-cyano-2-[3-[4-(phenylmethyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2R)-2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2R)-2-[3-(4-benzylpiperazino)quinoxalin-2-yl]-2-cyano-acetic acid allyl ester Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O2/c1-2-16-32-25(31)20(17-26)23-24(28-22-11-7-6-10-21(22)27-23)30-14-12-29(13-15-30)18-19-8-4-3-5-9-19/h2-11,20H,1,12-16,18H2/t20-/m0/s1