1-[4-[1-[4-(azepan-1-yl)-3-methoxy-phenyl]ethenyl]-2-methoxy-phenyl]azepane

Systemtic Name: 1-[4-[1-[4-(azepan-1-yl)-3-methoxy-phenyl]ethenyl]-2-methoxy-phenyl]azepane Openeye Name: 1-[4-[1-[4-(azepan-1-yl)-3-methoxy-phenyl]vinyl]-2-methoxy-phenyl]azepane CAS Name: 1-[4-[1-[4-(1-azepanyl)-3-methoxyphenyl]ethenyl]-2-methoxyphenyl]azepane IUPAC Name: 1-[4-[1-[4-(azepan-1-yl)-3-methoxyphenyl]ethenyl]-2-methoxyphenyl]azepane Traditional Name: 1-[4-[1-[4-(azepan-1-yl)-3-methoxy-phenyl]vinyl]-2-methoxy-phenyl]azepane Formula: C28H38N2O2 MolecularWeight: 434.61352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=C)C2=CC(=C(C=C2)N3CCCCCC3)OC)N4CCCCCC4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=C)C2=CC(=C(C=C2)N3CCCCCC3)OC)N4CCCCCC4

InChI

InChI=1S/C28H38N2O2/c1-22(23-12-14-25(27(20-23)31-2)29-16-8-4-5-9-17-29)24-13-15-26(28(21-24)32-3)30-18-10-6-7-11-19-30/h12-15,20-21H,1,4-11,16-19H2,2-3H3