2-[4-(phenylmethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 2-[4-(phenylmethyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 2-[4-(phenylmethyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 2-(4-benzylpiperazino)-1-(3,4,5-trimethoxyphenyl)ethanone Formula: C22H28N2O4 MolecularWeight: 384.46872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O4/c1-26-20-13-18(14-21(27-2)22(20)28-3)19(25)16-24-11-9-23(10-12-24)15-17-7-5-4-6-8-17/h4-8,13-14H,9-12,15-16H2,1-3H3