6-tert-butyl-2-[3-chloranyl-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1H-benzimidazole

Systemtic Name: 6-tert-butyl-2-[3-chloranyl-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1H-benzimidazole Openeye Name: 6-tert-butyl-2-[3-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1H-benzimidazole CAS Name: 6-tert-butyl-2-[3-chloro-4-[3-(4-methyl-1-piperazinyl)propoxy]phenyl]-1H-benzimidazole IUPAC Name: 6-tert-butyl-2-[3-chloro-4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1H-benzimidazole Traditional Name: 6-tert-butyl-2-[3-chloro-4-[3-(4-methylpiperazino)propoxy]phenyl]-1H-benzimidazole Formula: C25H33ClN4O MolecularWeight: 441.00872

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)OCCCN4CCN(CC4)C)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=CC(=C(C=C3)OCCCN4CCN(CC4)C)Cl

InChI

InChI=1S/C25H33ClN4O/c1-25(2,3)19-7-8-21-22(17-19)28-24(27-21)18-6-9-23(20(26)16-18)31-15-5-10-30-13-11-29(4)12-14-30/h6-9,16-17H,5,10-15H2,1-4H3,(H,27,28)