N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloranyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloranyl-2-pyridin-3-yl-pyrimidin-4-yl)piperidin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[6-chloro-2-(3-pyridyl)pyrimidin-4-yl]-2-piperidyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[6-chloro-2-(3-pyridinyl)-4-pyrimidinyl]-2-piperidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloro-2-pyridin-3-ylpyrimidin-4-yl)piperidin-2-yl]acetamide Traditional Name: 2-[1-[6-chloro-2-(3-pyridyl)pyrimidin-4-yl]-2-piperidyl]-N-piperonyl-acetamide Formula: C24H24ClN5O3 MolecularWeight: 465.93206

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)C5=CN=CC=C5)Cl

Isomeric SMILES

C1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)C5=CN=CC=C5)Cl

InChI

InChI=1S/C24H24ClN5O3/c25-21-12-22(29-24(28-21)17-4-3-8-26-14-17)30-9-2-1-5-18(30)11-23(31)27-13-16-6-7-19-20(10-16)33-15-32-19/h3-4,6-8,10,12,14,18H,1-2,5,9,11,13,15H2,(H,27,31)