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

Systemtic Name: 2-ethylbutyl (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: 2-ethylbutyl (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)-1-piperazinyl]-2-quinoxalinyl]acetic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[4-(4-fluorophenyl)piperazino]quinoxalin-2-yl]acetic acid 2-ethylbutyl ester Formula: C27H30FN5O2 MolecularWeight: 475.557803

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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=C(C=C4)F

Isomeric SMILES

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

InChI

InChI=1S/C27H30FN5O2/c1-3-19(4-2)18-35-27(34)22(17-29)25-26(31-24-8-6-5-7-23(24)30-25)33-15-13-32(14-16-33)21-11-9-20(28)10-12-21/h5-12,19,22H,3-4,13-16,18H2,1-2H3/t22-/m1/s1