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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C21H22ClN7O3 MolecularWeight: 455.89748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

C1CN(C(CN1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C21H22ClN7O3/c22-18-9-19(27-21(26-18)28-5-3-24-12-28)29-6-4-23-11-15(29)8-20(30)25-10-14-1-2-16-17(7-14)32-13-31-16/h1-3,5,7,9,12,15,23H,4,6,8,10-11,13H2,(H,25,30)