N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-phenyl-pyrimidin-4-yl)piperidin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-phenyl-pyrimidin-4-yl)piperidin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-phenyl-pyrimidin-4-yl)-2-piperidyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-6-phenyl-4-pyrimidinyl]-2-piperidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-phenylpyrimidin-4-yl)piperidin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-6-phenyl-pyrimidin-4-yl)-2-piperidyl]-N-piperonyl-acetamide Formula: C28H28N6O3 MolecularWeight: 496.56032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C5=CC=CC=C5)N6C=CN=C6

Isomeric SMILES

C1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC(=C4)C5=CC=CC=C5)N6C=CN=C6

InChI

InChI=1S/C28H28N6O3/c35-27(30-17-20-9-10-24-25(14-20)37-19-36-24)15-22-8-4-5-12-34(22)26-16-23(21-6-2-1-3-7-21)31-28(32-26)33-13-11-29-18-33/h1-3,6-7,9-11,13-14,16,18,22H,4-5,8,12,15,17,19H2,(H,30,35)