2-(4-tert-butylphenyl)-4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1H-benzimidazole

Systemtic Name: 2-(4-tert-butylphenyl)-4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1H-benzimidazole Openeye Name: 2-(4-tert-butylphenyl)-4-[4-(3-furylmethyl)piperazin-1-yl]-1H-benzimidazole CAS Name: 2-(4-tert-butylphenyl)-4-[4-(3-furanylmethyl)-1-piperazinyl]-1H-benzimidazole IUPAC Name: 2-(4-tert-butylphenyl)-4-[4-(furan-3-ylmethyl)piperazin-1-yl]-1H-benzimidazole Traditional Name: 2-(4-tert-butylphenyl)-4-[4-(3-furfuryl)piperazino]-1H-benzimidazole Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CC5=COC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC4)CC5=COC=C5

InChI

InChI=1S/C26H30N4O/c1-26(2,3)21-9-7-20(8-10-21)25-27-22-5-4-6-23(24(22)28-25)30-14-12-29(13-15-30)17-19-11-16-31-18-19/h4-11,16,18H,12-15,17H2,1-3H3,(H,27,28)