4-tert-butyl-2-[(4-chloranylphenoxy)methyl]-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazole

Systemtic Name: 4-tert-butyl-2-[(4-chloranylphenoxy)methyl]-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazole Openeye Name: 4-tert-butyl-2-[(4-chlorophenoxy)methyl]-1-[3-(1-methyl-4-piperidyl)propyl]benzimidazole CAS Name: 4-tert-butyl-2-[(4-chlorophenoxy)methyl]-1-[3-(1-methyl-4-piperidinyl)propyl]benzimidazole IUPAC Name: 4-tert-butyl-2-[(4-chlorophenoxy)methyl]-1-[3-(1-methylpiperidin-4-yl)propyl]benzimidazole Traditional Name: 4-tert-butyl-2-[(4-chlorophenoxy)methyl]-1-[3-(1-methyl-4-piperidyl)propyl]benzimidazole Formula: C27H36ClN3O MolecularWeight: 454.04724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCC4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C1=C2C(=CC=C1)N(C(=N2)COC3=CC=C(C=C3)Cl)CCCC4CCN(CC4)C

InChI

InChI=1S/C27H36ClN3O/c1-27(2,3)23-8-5-9-24-26(23)29-25(19-32-22-12-10-21(28)11-13-22)31(24)16-6-7-20-14-17-30(4)18-15-20/h5,8-13,20H,6-7,14-19H2,1-4H3