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

Systemtic Name: [3-[3,4-bis(fluoranyl)phenyl]-3-[2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Openeye Name: [3-(3,4-difluorophenyl)-3-[2-[4-[[1-(2-pyridylmethyl)benzimidazol-2-yl]amino]-1-piperidyl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone CAS Name: [3-(3,4-difluorophenyl)-3-[2-[4-[[1-(2-pyridinylmethyl)-2-benzimidazolyl]amino]-1-piperidinyl]ethyl]-1-pyrrolidinyl]-(3,4,5-trimethoxyphenyl)methanone IUPAC Name: [3-(3,4-difluorophenyl)-3-[2-[4-[[1-(pyridin-2-ylmethyl)benzimidazol-2-yl]amino]piperidin-1-yl]ethyl]pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone Traditional Name: [3-(3,4-difluorophenyl)-3-[2-[4-[[1-(2-pyridylmethyl)benzimidazol-2-yl]amino]piperidino]ethyl]pyrrolidino]-(3,4,5-trimethoxyphenyl)methanone Formula: C40H44F2N6O4 MolecularWeight: 710.811966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)NC4=NC5=CC=CC=C5N4CC6=CC=CC=N6)C7=CC(=C(C=C7)F)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)NC4=NC5=CC=CC=C5N4CC6=CC=CC=N6)C7=CC(=C(C=C7)F)F

InChI

InChI=1S/C40H44F2N6O4/c1-50-35-22-27(23-36(51-2)37(35)52-3)38(49)47-21-16-40(26-47,28-11-12-31(41)32(42)24-28)15-20-46-18-13-29(14-19-46)44-39-45-33-9-4-5-10-34(33)48(39)25-30-8-6-7-17-43-30/h4-12,17,22-24,29H,13-16,18-21,25-26H2,1-3H3,(H,44,45)