1-[4-(phenylmethyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)hexan-1-one

Systemtic Name: 1-[4-(phenylmethyl)piperazin-1-yl]-2-(3,4,5-trimethoxyphenoxy)hexan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenoxy)hexan-1-one CAS Name: 1-[4-(phenylmethyl)-1-piperazinyl]-2-(3,4,5-trimethoxyphenoxy)-1-hexanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-(3,4,5-trimethoxyphenoxy)hexan-1-one Traditional Name: 1-(4-benzylpiperazino)-2-(3,4,5-trimethoxyphenoxy)hexan-1-one Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CCCCC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)OC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C26H36N2O5/c1-5-6-12-22(33-21-17-23(30-2)25(32-4)24(18-21)31-3)26(29)28-15-13-27(14-16-28)19-20-10-8-7-9-11-20/h7-11,17-18,22H,5-6,12-16,19H2,1-4H3