1-(azepan-1-yl)-3-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[2-[(4-tert-butylphenoxy)methyl]-1-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[2-[(4-tert-butylphenoxy)methyl]benzimidazol-1-yl]propan-1-one Formula: C27H35N3O2 MolecularWeight: 433.5857

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

InChI

InChI=1S/C27H35N3O2/c1-27(2,3)21-12-14-22(15-13-21)32-20-25-28-23-10-6-7-11-24(23)30(25)19-16-26(31)29-17-8-4-5-9-18-29/h6-7,10-15H,4-5,8-9,16-20H2,1-3H3