6-[[(2S)-4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]-2-methyl-piperazin-1-yl]methyl]quinoxaline

Systemtic Name: 6-[[(2S)-4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]-2-methyl-piperazin-1-yl]methyl]quinoxaline Openeye Name: 6-[[(2S)-4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]-2-methyl-piperazin-1-yl]methyl]quinoxaline CAS Name: 6-[[(2S)-4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]-2-methyl-1-piperazinyl]methyl]quinoxaline IUPAC Name: 6-[[(2S)-4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]-2-methylpiperazin-1-yl]methyl]quinoxaline Traditional Name: 6-[[(2S)-4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]-2-methyl-piperazino]methyl]quinoxaline Formula: C31H34N6 MolecularWeight: 490.64186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC2=CC3=NC=CN=C3C=C2)C4=CC=CC5=C4N=C(N5)C6=CC=C(C=C6)C(C)(C)C

Isomeric SMILES

C[C@H]1CN(CCN1CC2=CC3=NC=CN=C3C=C2)C4=CC=CC5=C4N=C(N5)C6=CC=C(C=C6)C(C)(C)C

InChI

InChI=1S/C31H34N6/c1-21-19-37(17-16-36(21)20-22-8-13-25-27(18-22)33-15-14-32-25)28-7-5-6-26-29(28)35-30(34-26)23-9-11-24(12-10-23)31(2,3)4/h5-15,18,21H,16-17,19-20H2,1-4H3,(H,34,35)/t21-/m0/s1