3-(1H-benzimidazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one CAS Name: 3-(1H-benzimidazol-2-yl)-1-[2-(4-methoxyphenyl)-1-azepanyl]-1-propanone IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC3=NC4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H27N3O2/c1-28-18-12-10-17(11-13-18)21-9-3-2-6-16-26(21)23(27)15-14-22-24-19-7-4-5-8-20(19)25-22/h4-5,7-8,10-13,21H,2-3,6,9,14-16H2,1H3,(H,24,25)