1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(2-phenylpyrimidin-4-yl)-1-piperidyl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(2-phenyl-4-pyrimidinyl)-1-piperidinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(2-phenylpyrimidin-4-yl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(2-phenylpyrimidin-4-yl)piperidino]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCC(CC2)C3=NC(=NC=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCC(CC2)C3=NC(=NC=C3)C4=CC=CC=C4

InChI

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