N-(pyridin-3-ylmethyl)-4-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]piperidin-1-yl]benzamide

Systemtic Name: N-(pyridin-3-ylmethyl)-4-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]piperidin-1-yl]benzamide Openeye Name: N-(3-pyridylmethyl)-4-[4-[[(3R)-1-pyrimidin-2-yl-3-piperidyl]methylamino]-1-piperidyl]benzamide CAS Name: N-(3-pyridinylmethyl)-4-[4-[[(3R)-1-(2-pyrimidinyl)-3-piperidinyl]methylamino]-1-piperidinyl]benzamide IUPAC Name: N-(pyridin-3-ylmethyl)-4-[4-[[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methylamino]piperidin-1-yl]benzamide Traditional Name: N-(3-pyridylmethyl)-4-[4-[[(3R)-1-(2-pyrimidyl)-3-piperidyl]methylamino]piperidino]benzamide Formula: C28H35N7O MolecularWeight: 485.6238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=CC=N2)CNC3CCN(CC3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC=CC=N2)CNC3CCN(CC3)C4=CC=C(C=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C28H35N7O/c36-27(33-19-22-4-1-12-29-18-22)24-6-8-26(9-7-24)34-16-10-25(11-17-34)32-20-23-5-2-15-35(21-23)28-30-13-3-14-31-28/h1,3-4,6-9,12-14,18,23,25,32H,2,5,10-11,15-17,19-21H2,(H,33,36)/t23-/m1/s1