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

Systemtic Name: 1-(azepan-1-yl)-3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]propan-1-one Openeye Name: 1-(azepan-1-yl)-3-[2-[(E)-2-(4-methoxyphenyl)vinyl]benzimidazol-1-yl]propan-1-one CAS Name: 1-(1-azepanyl)-3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]-1-benzimidazolyl]-1-propanone IUPAC Name: 1-(azepan-1-yl)-3-[2-[(E)-2-(4-methoxyphenyl)ethenyl]benzimidazol-1-yl]propan-1-one Traditional Name: 1-(azepan-1-yl)-3-[2-[(E)-2-(4-methoxyphenyl)vinyl]benzimidazol-1-yl]propan-1-one Formula: C25H29N3O2 MolecularWeight: 403.51666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CC2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/C2=NC3=CC=CC=C3N2CCC(=O)N4CCCCCC4

InChI

InChI=1S/C25H29N3O2/c1-30-21-13-10-20(11-14-21)12-15-24-26-22-8-4-5-9-23(22)28(24)19-16-25(29)27-17-6-2-3-7-18-27/h4-5,8-15H,2-3,6-7,16-19H2,1H3/b15-12+