4-[5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-2,4-diphenyl-imidazol-1-yl]butan-1-ol

Systemtic Name: 4-[5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-2,4-diphenyl-imidazol-1-yl]butan-1-ol Openeye Name: 4-[5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-2,4-diphenyl-imidazol-1-yl]butan-1-ol CAS Name: 4-[5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-2,4-diphenyl-1-imidazolyl]-1-butanol IUPAC Name: 4-[5-[[bis(1,3-benzodioxol-5-ylmethyl)amino]methyl]-2,4-diphenylimidazol-1-yl]butan-1-ol Traditional Name: 4-[5-[(dipiperonylamino)methyl]-2,4-diphenyl-imidazol-1-yl]butan-1-ol Formula: C36H35N3O5 MolecularWeight: 589.6802

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC4=C(C=C3)OCO4)CC5=C(N=C(N5CCCCO)C6=CC=CC=C6)C7=CC=CC=C7

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC4=C(C=C3)OCO4)CC5=C(N=C(N5CCCCO)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChI=1S/C36H35N3O5/c40-18-8-7-17-39-30(35(28-9-3-1-4-10-28)37-36(39)29-11-5-2-6-12-29)23-38(21-26-13-15-31-33(19-26)43-24-41-31)22-27-14-16-32-34(20-27)44-25-42-32/h1-6,9-16,19-20,40H,7-8,17-18,21-25H2