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

Systemtic Name: 2-ethylbutyl (2S)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: 2-ethylbutyl (2S)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2S)-2-[3-[4-(3-chlorophenyl)-1-piperazinyl]-2-quinoxalinyl]-2-cyanoacetic acid 2-ethylbutyl ester IUPAC Name: 2-ethylbutyl (2S)-2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2S)-2-[3-[4-(3-chlorophenyl)piperazino]quinoxalin-2-yl]-2-cyano-acetic acid 2-ethylbutyl ester Formula: C27H30ClN5O2 MolecularWeight: 492.0124

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClN5O2/c1-3-19(4-2)18-35-27(34)22(17-29)25-26(31-24-11-6-5-10-23(24)30-25)33-14-12-32(13-15-33)21-9-7-8-20(28)16-21/h5-11,16,19,22H,3-4,12-15,18H2,1-2H3/t22-/m1/s1