2-ethylbutyl (2S)-2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: 2-ethylbutyl (2S)-2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: 2-ethylbutyl (2S)-2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-(4-phenyl-1-piperazinyl)-2-quinoxalinyl]acetic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl (2S)-2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-(4-phenylpiperazino)quinoxalin-2-yl]acetic acid 2-ethylbutyl ester Formula: C27H31N5O2 MolecularWeight: 457.56734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N5O2/c1-3-20(4-2)19-34-27(33)22(18-28)25-26(30-24-13-9-8-12-23(24)29-25)32-16-14-31(15-17-32)21-10-6-5-7-11-21/h5-13,20,22H,3-4,14-17,19H2,1-2H3/t22-/m1/s1