ethyl (2S)-2-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: ethyl (2S)-2-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: ethyl (2S)-2-[3-[4-(1H-benzimidazol-2-yl)-1-piperidyl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2S)-2-[3-[4-(1H-benzimidazol-2-yl)-1-piperidinyl]-2-quinoxalinyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2S)-2-[3-[4-(1H-benzimidazol-2-yl)piperidino]quinoxalin-2-yl]-2-cyano-acetic acid ethyl ester Formula: C25H24N6O2 MolecularWeight: 440.49706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H24N6O2/c1-2-33-25(32)17(15-26)22-24(30-21-10-6-3-7-18(21)27-22)31-13-11-16(12-14-31)23-28-19-8-4-5-9-20(19)29-23/h3-10,16-17H,2,11-14H2,1H3,(H,28,29)/t17-/m1/s1