ethyl (2S)-2-cyano-2-[3-[4-(3-methylphenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N5O2/c1-3-31-24(30)19(16-25)22-23(27-21-10-5-4-9-20(21)26-22)29-13-11-28(12-14-29)18-8-6-7-17(2)15-18/h4-10,15,19H,3,11-14H2,1-2H3/t19-/m1/s1