1-(azepan-1-yl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[4-(2,3,4-trimethoxybenzyl)piperazino]ethanone Formula: C22H35N3O4 MolecularWeight: 405.531

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(=O)N3CCCCCC3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)CC(=O)N3CCCCCC3)OC)OC

InChI

InChI=1S/C22H35N3O4/c1-27-19-9-8-18(21(28-2)22(19)29-3)16-23-12-14-24(15-13-23)17-20(26)25-10-6-4-5-7-11-25/h8-9H,4-7,10-17H2,1-3H3