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

Systemtic Name: prop-2-enyl (2R)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: allyl (2R)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: (2R)-2-cyano-2-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (2R)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2R)-2-cyano-2-[3-[4-(2-methoxyphenyl)piperazino]quinoxalin-2-yl]acetic acid allyl ester Formula: C25H25N5O3 MolecularWeight: 443.4977

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC=C

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=NC4=CC=CC=C4N=C3[C@H](C#N)C(=O)OCC=C

InChI

InChI=1S/C25H25N5O3/c1-3-16-33-25(31)18(17-26)23-24(28-20-9-5-4-8-19(20)27-23)30-14-12-29(13-15-30)21-10-6-7-11-22(21)32-2/h3-11,18H,1,12-16H2,2H3/t18-/m0/s1