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

Systemtic Name: methyl 2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-[4-(2,3-dimethylphenyl)piperazino]quinoxalin-2-yl]acetic acid methyl ester Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OC)C

InChI

InChI=1S/C24H25N5O2/c1-16-7-6-10-21(17(16)2)28-11-13-29(14-12-28)23-22(18(15-25)24(30)31-3)26-19-8-4-5-9-20(19)27-23/h4-10,18H,11-14H2,1-3H3