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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-[5-(4-pyridyl)pyrimidin-4-yl]-1-piperidyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(5-pyridin-4-yl-4-pyrimidinyl)-1-piperidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]acetamide Traditional Name: N-piperonyl-2-[3-[5-(4-pyridyl)pyrimidin-4-yl]piperidino]acetamide Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=NC=C4C5=CC=NC=C5

Isomeric SMILES

C1CC(CN(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC=NC=C4C5=CC=NC=C5

InChI

InChI=1S/C24H25N5O3/c30-23(27-11-17-3-4-21-22(10-17)32-16-31-21)14-29-9-1-2-19(13-29)24-20(12-26-15-28-24)18-5-7-25-8-6-18/h3-8,10,12,15,19H,1-2,9,11,13-14,16H2,(H,27,30)