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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-butyl-1-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-butyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-butyl-1-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-2-piperazinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-butyl-1-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)piperazin-2-yl]acetamide Traditional Name: 2-[4-butyl-1-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)piperazin-2-yl]-N-piperonyl-acetamide Formula: C25H30ClN7O3 MolecularWeight: 512.0038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

Isomeric SMILES

CCCCN1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CC(=NC(=N4)N5C=CN=C5)Cl

InChI

InChI=1S/C25H30ClN7O3/c1-2-3-7-31-9-10-33(23-13-22(26)29-25(30-23)32-8-6-27-16-32)19(15-31)12-24(34)28-14-18-4-5-20-21(11-18)36-17-35-20/h4-6,8,11,13,16,19H,2-3,7,9-10,12,14-15,17H2,1H3,(H,28,34)