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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)-methyl-amino]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-methyl-amino]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]-methylamino]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)-methylamino]acetamide Traditional Name: 2-[(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-methyl-amino]-N-piperonyl-acetamide Formula: C18H17ClN6O3 MolecularWeight: 400.81898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

CN(CC(=O)NCC1=CC2=C(C=C1)OCO2)C3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C18H17ClN6O3/c1-24(16-7-15(19)22-18(23-16)25-5-4-20-10-25)9-17(26)21-8-12-2-3-13-14(6-12)28-11-27-13/h2-7,10H,8-9,11H2,1H3,(H,21,26)