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

Systemtic Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Openeye Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one CAS Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-1-propanone IUPAC Name: 3-(2,3-dimethoxyphenyl)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]propan-1-one Traditional Name: 3-(2,3-dimethoxyphenyl)-1-(4-p-anisyl-1,4-diazepan-1-yl)propan-1-one Formula: C24H32N2O4 MolecularWeight: 412.52188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCC3=C(C(=CC=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CCC3=C(C(=CC=C3)OC)OC

InChI

InChI=1S/C24H32N2O4/c1-28-21-11-8-19(9-12-21)18-25-14-5-15-26(17-16-25)23(27)13-10-20-6-4-7-22(29-2)24(20)30-3/h4,6-9,11-12H,5,10,13-18H2,1-3H3