3-(3,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)-1-azepanyl]-1-propanone IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-[2-(4-methoxyphenyl)azepan-1-yl]propan-1-one Formula: C24H31NO4 MolecularWeight: 397.50724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC3=CC(=CC(=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCCCN2C(=O)CCC3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C24H31NO4/c1-27-20-11-9-19(10-12-20)23-7-5-4-6-14-25(23)24(26)13-8-18-15-21(28-2)17-22(16-18)29-3/h9-12,15-17,23H,4-8,13-14H2,1-3H3