3-[1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one

Systemtic Name: 3-[1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one Openeye Name: 3-[1-[1-(pyrimidin-5-ylmethyl)-4-piperidyl]-4-piperidyl]-1H-benzimidazol-2-one CAS Name: 3-[1-[1-(5-pyrimidinylmethyl)-4-piperidinyl]-4-piperidinyl]-1H-benzimidazol-2-one IUPAC Name: 3-[1-[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]piperidin-4-yl]-1H-benzimidazol-2-one Traditional Name: 3-[1-[1-(5-pyrimidylmethyl)-4-piperidyl]-4-piperidyl]-1H-benzimidazol-2-one Formula: C22H28N6O MolecularWeight: 392.49732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCC(CC2)N3C4=CC=CC=C4NC3=O)CC5=CN=CN=C5

Isomeric SMILES

C1CN(CCC1N2CCC(CC2)N3C4=CC=CC=C4NC3=O)CC5=CN=CN=C5

InChI

InChI=1S/C22H28N6O/c29-22-25-20-3-1-2-4-21(20)28(22)19-7-11-27(12-8-19)18-5-9-26(10-6-18)15-17-13-23-16-24-14-17/h1-4,13-14,16,18-19H,5-12,15H2,(H,25,29)