[3-[2-[4-[1H-benzimidazol-2-yl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethyl]-3-[3,4-bis(fluoranyl)phenyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone

Systemtic Name: [3-[2-[4-[1H-benzimidazol-2-yl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethyl]-3-[3,4-bis(fluoranyl)phenyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-[2-[4-[1H-benzimidazol-2-yl(4-pyridylmethyl)amino]-1-piperidyl]ethyl]-3-(3,4-difluorophenyl)-1-piperidyl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-[2-[4-[1H-benzimidazol-2-yl(pyridin-4-ylmethyl)amino]-1-piperidinyl]ethyl]-3-(3,4-difluorophenyl)-1-piperidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-[2-[4-[1H-benzimidazol-2-yl(pyridin-4-ylmethyl)amino]piperidin-1-yl]ethyl]-3-(3,4-difluorophenyl)piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-[2-[4-[1H-benzimidazol-2-yl(4-pyridylmethyl)amino]piperidino]ethyl]-3-(3,4-difluorophenyl)piperidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C41H46F2N6O4 MolecularWeight: 724.838546

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCC(C2)(CCN3CCC(CC3)N(CC4=CC=NC=C4)C5=NC6=CC=CC=C6N5)C7=CC(=C(C=C7)F)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCCC(C2)(CCN3CCC(CC3)N(CC4=CC=NC=C4)C5=NC6=CC=CC=C6N5)C7=CC(=C(C=C7)F)F

InChI

InChI=1S/C41H46F2N6O4/c1-51-36-23-29(24-37(52-2)38(36)53-3)39(50)48-19-6-15-41(27-48,30-9-10-32(42)33(43)25-30)16-22-47-20-13-31(14-21-47)49(26-28-11-17-44-18-12-28)40-45-34-7-4-5-8-35(34)46-40/h4-5,7-12,17-18,23-25,31H,6,13-16,19-22,26-27H2,1-3H3,(H,45,46)