3-(phenylmethyl)-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperazin-2-one

Systemtic Name: 3-(phenylmethyl)-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperazin-2-one Openeye Name: 3-benzyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]methyl]piperazin-2-one CAS Name: 3-(phenylmethyl)-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]-2-piperazinone IUPAC Name: 3-benzyl-1-[[2-(3,4,5-trimethoxyphenyl)pyridin-4-yl]methyl]piperazin-2-one Traditional Name: 3-benzyl-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridyl]methyl]piperazin-2-one Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)CN3CCNC(C3=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)CN3CCNC(C3=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O4/c1-31-23-15-20(16-24(32-2)25(23)33-3)21-14-19(9-10-27-21)17-29-12-11-28-22(26(29)30)13-18-7-5-4-6-8-18/h4-10,14-16,22,28H,11-13,17H2,1-3H3