methyl 2-cyano-2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(4-hydroxyphenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-(4-hydroxyphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(4-hydroxyphenyl)piperazino]quinoxalin-2-yl]acetic acid methyl ester Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O3/c1-30-22(29)17(14-23)20-21(25-19-5-3-2-4-18(19)24-20)27-12-10-26(11-13-27)15-6-8-16(28)9-7-15/h2-9,17,28H,10-13H2,1H3