2-(1,3-benzodioxol-5-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[3-(5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[3-[5-(4-pyridyl)pyrimidin-4-yl]piperidino]ethanone Formula: C23H22N4O3 MolecularWeight: 402.44578

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC3=C(C=C2)OCO3)C4=NC=NC=C4C5=CC=NC=C5

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=CC3=C(C=C2)OCO3)C4=NC=NC=C4C5=CC=NC=C5

InChI

InChI=1S/C23H22N4O3/c28-22(11-16-3-4-20-21(10-16)30-15-29-20)27-9-1-2-18(13-27)23-19(12-25-14-26-23)17-5-7-24-8-6-17/h3-8,10,12,14,18H,1-2,9,11,13,15H2