6-tert-butyl-2-[(2S)-4-(3-chloranylpyridin-2-yl)-2-methyl-piperazin-1-yl]-1H-benzimidazole

Systemtic Name: 6-tert-butyl-2-[(2S)-4-(3-chloranylpyridin-2-yl)-2-methyl-piperazin-1-yl]-1H-benzimidazole Openeye Name: 6-tert-butyl-2-[(2S)-4-(3-chloro-2-pyridyl)-2-methyl-piperazin-1-yl]-1H-benzimidazole CAS Name: 6-tert-butyl-2-[(2S)-4-(3-chloro-2-pyridinyl)-2-methyl-1-piperazinyl]-1H-benzimidazole IUPAC Name: 6-tert-butyl-2-[(2S)-4-(3-chloropyridin-2-yl)-2-methylpiperazin-1-yl]-1H-benzimidazole Traditional Name: 6-tert-butyl-2-[(2S)-4-(3-chloro-2-pyridyl)-2-methyl-piperazino]-1H-benzimidazole Formula: C21H26ClN5 MolecularWeight: 383.91764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=NC3=C(N2)C=C(C=C3)C(C)(C)C)C4=C(C=CC=N4)Cl

Isomeric SMILES

C[C@H]1CN(CCN1C2=NC3=C(N2)C=C(C=C3)C(C)(C)C)C4=C(C=CC=N4)Cl

InChI

InChI=1S/C21H26ClN5/c1-14-13-26(19-16(22)6-5-9-23-19)10-11-27(14)20-24-17-8-7-15(21(2,3)4)12-18(17)25-20/h5-9,12,14H,10-11,13H2,1-4H3,(H,24,25)/t14-/m0/s1