3-[1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C20H20BrN3O3 MolecularWeight: 430.2951

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC5=C(C=C4Br)OCO5

Isomeric SMILES

C1CN(CCC1N2C3=CC=CC=C3NC2=O)CC4=CC5=C(C=C4Br)OCO5

InChI

InChI=1S/C20H20BrN3O3/c21-15-10-19-18(26-12-27-19)9-13(15)11-23-7-5-14(6-8-23)24-17-4-2-1-3-16(17)22-20(24)25/h1-4,9-10,14H,5-8,11-12H2,(H,22,25)