N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-ethyl-4-methyl-imidazol-1-yl)pyrimidin-5-yl]-2-chloranyl-benzamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-ethyl-4-methyl-imidazol-1-yl)pyrimidin-5-yl]-2-chloranyl-benzamide Openeye Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-ethyl-4-methyl-imidazol-1-yl)pyrimidin-5-yl]-2-chloro-benzamide CAS Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-ethyl-4-methyl-1-imidazolyl)-5-pyrimidinyl]-2-chlorobenzamide IUPAC Name: N-[4-(1,3-benzodioxol-5-ylmethylamino)-2-(2-ethyl-4-methylimidazol-1-yl)pyrimidin-5-yl]-2-chlorobenzamide Traditional Name: 2-chloro-N-[2-(2-ethyl-4-methyl-imidazol-1-yl)-4-(piperonylamino)pyrimidin-5-yl]benzamide Formula: C25H23ClN6O3 MolecularWeight: 490.94152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CN1C2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5Cl)C

Isomeric SMILES

CCC1=NC(=CN1C2=NC=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC=CC=C5Cl)C

InChI

InChI=1S/C25H23ClN6O3/c1-3-22-29-15(2)13-32(22)25-28-12-19(30-24(33)17-6-4-5-7-18(17)26)23(31-25)27-11-16-8-9-20-21(10-16)35-14-34-20/h4-10,12-13H,3,11,14H2,1-2H3,(H,30,33)(H,27,28,31)