1-(azepan-1-yl)-3-[2-[1-(4-chloranylphenoxy)ethyl]benzimidazol-1-yl]propan-1-one

Systemtic Name: 1-(azepan-1-yl)-3-[2-[1-(4-chloranylphenoxy)ethyl]benzimidazol-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[2-[1-(4-chlorophenoxy)ethyl]-1-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[2-[1-(4-chlorophenoxy)ethyl]benzimidazol-1-yl]propan-1-one Formula: C24H28ClN3O2 MolecularWeight: 425.95102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1CCC(=O)N3CCCCCC3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C1=NC2=CC=CC=C2N1CCC(=O)N3CCCCCC3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H28ClN3O2/c1-18(30-20-12-10-19(25)11-13-20)24-26-21-8-4-5-9-22(21)28(24)17-14-23(29)27-15-6-2-3-7-16-27/h4-5,8-13,18H,2-3,6-7,14-17H2,1H3