1-(azepan-1-yl)-3-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[2-[(2,5-dimethylphenoxy)methyl]-1-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[2-[(2,5-dimethylphenoxy)methyl]benzimidazol-1-yl]propan-1-one Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H31N3O2/c1-19-11-12-20(2)23(17-19)30-18-24-26-21-9-5-6-10-22(21)28(24)16-13-25(29)27-14-7-3-4-8-15-27/h5-6,9-12,17H,3-4,7-8,13-16,18H2,1-2H3