1-(azepan-1-yl)-3-[2-[1-(4-chloranyl-3-methyl-phenoxy)ethyl]benzimidazol-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[2-[1-(4-chloranyl-3-methyl-phenoxy)ethyl]benzimidazol-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[2-[1-(4-chloro-3-methyl-phenoxy)ethyl]benzimidazol-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[2-[1-(4-chloro-3-methylphenoxy)ethyl]-1-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[2-[1-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[2-[1-(4-chloro-3-methyl-phenoxy)ethyl]benzimidazol-1-yl]propan-1-one Formula: C25H30ClN3O2 MolecularWeight: 439.9776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)C2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4)Cl

InChI

InChI=1S/C25H30ClN3O2/c1-18-17-20(11-12-21(18)26)31-19(2)25-27-22-9-5-6-10-23(22)29(25)16-13-24(30)28-14-7-3-4-8-15-28/h5-6,9-12,17,19H,3-4,7-8,13-16H2,1-2H3