N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloranyl-2-imidazol-1-yl-pyrimidin-4-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[6-chloro-2-(1-imidazolyl)-4-pyrimidinyl]propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(6-chloro-2-imidazol-1-ylpyrimidin-4-yl)propanamide Traditional Name: 3-(6-chloro-2-imidazol-1-yl-pyrimidin-4-yl)-N-piperonyl-propionamide Formula: C18H16ClN5O3 MolecularWeight: 385.80434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CC(=NC(=N3)N4C=CN=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CCC3=CC(=NC(=N3)N4C=CN=C4)Cl

InChI

InChI=1S/C18H16ClN5O3/c19-16-8-13(22-18(23-16)24-6-5-20-10-24)2-4-17(25)21-9-12-1-3-14-15(7-12)27-11-26-14/h1,3,5-8,10H,2,4,9,11H2,(H,21,25)