6-tert-butyl-2-[4-[3-(4-methyl-1,4-diazepan-1-yl)butoxy]phenyl]-1H-benzimidazole

Systemtic Name: 6-tert-butyl-2-[4-[3-(4-methyl-1,4-diazepan-1-yl)butoxy]phenyl]-1H-benzimidazole Openeye Name: 6-tert-butyl-2-[4-[3-(4-methyl-1,4-diazepan-1-yl)butoxy]phenyl]-1H-benzimidazole CAS Name: 6-tert-butyl-2-[4-[3-(4-methyl-1,4-diazepan-1-yl)butoxy]phenyl]-1H-benzimidazole IUPAC Name: 6-tert-butyl-2-[4-[3-(4-methyl-1,4-diazepan-1-yl)butoxy]phenyl]-1H-benzimidazole Traditional Name: 6-tert-butyl-2-[4-[3-(4-methyl-1,4-diazepan-1-yl)butoxy]phenyl]-1H-benzimidazole Formula: C27H38N4O MolecularWeight: 434.61682

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(C)(C)C)N4CCCN(CC4)C

Isomeric SMILES

CC(CCOC1=CC=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C(C)(C)C)N4CCCN(CC4)C

InChI

InChI=1S/C27H38N4O/c1-20(31-15-6-14-30(5)16-17-31)13-18-32-23-10-7-21(8-11-23)26-28-24-12-9-22(27(2,3)4)19-25(24)29-26/h7-12,19-20H,6,13-18H2,1-5H3,(H,28,29)