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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperidin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-piperidyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-piperidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperidin-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-2-piperidyl]-N-piperonyl-acetamide Formula: C22H23ClN6O3 MolecularWeight: 454.90942

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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)N5C=CN=C5)Cl

Isomeric SMILES

C1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C22H23ClN6O3/c23-19-11-20(27-22(26-19)28-8-6-24-13-28)29-7-2-1-3-16(29)10-21(30)25-12-15-4-5-17-18(9-15)32-14-31-17/h4-6,8-9,11,13,16H,1-3,7,10,12,14H2,(H,25,30)