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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-27-20-12-10-19(11-13-20)21-7-5-4-6-16-25(21)24(26)15-9-18-8-14-22(28-2)23(17-18)29-3/h8,10-14,17,21H,4-7,9,15-16H2,1-3H3