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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-1-ethanoyl-piperazin-2-yl]ethanamide Openeye Name: 2-[1-acetyl-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[1-acetyl-4-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[1-acetyl-4-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[1-acetyl-4-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C23H24ClN7O4 MolecularWeight: 497.93416

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C23H24ClN7O4/c1-15(32)31-7-6-29(21-10-20(24)27-23(28-21)30-5-4-25-13-30)12-17(31)9-22(33)26-11-16-2-3-18-19(8-16)35-14-34-18/h2-5,8,10,13,17H,6-7,9,11-12,14H2,1H3,(H,26,33)