3-[2-[[1-[2-[3-[3,4-bis(fluoranyl)phenyl]-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]piperidin-4-yl]amino]benzimidazol-1-yl]propanenitrile; methanesulfonic acid

Systemtic Name: 3-[2-[[1-[2-[3-[3,4-bis(fluoranyl)phenyl]-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]piperidin-4-yl]amino]benzimidazol-1-yl]propanenitrile; methanesulfonic acid Openeye Name: 3-[2-[[1-[2-[3-(3,4-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-piperidyl]amino]benzimidazol-1-yl]propanenitrile; methanesulfonic acid CAS Name: 3-[2-[[1-[2-[3-(3,4-difluorophenyl)-1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-pyrrolidinyl]ethyl]-4-piperidinyl]amino]-1-benzimidazolyl]propanenitrile; methanesulfonic acid IUPAC Name: 3-[2-[[1-[2-[3-(3,4-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]piperidin-4-yl]amino]benzimidazol-1-yl]propanenitrile; methanesulfonic acid Traditional Name: 3-[2-[[1-[2-[3-(3,4-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-4-piperidyl]amino]benzimidazol-1-yl]propionitrile; mesylic acid Formula: C38H46F2N6O7S MolecularWeight: 768.869646

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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=C5N4CCC#N)C6=CC(=C(C=C6)F)F.CS(=O)(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCC(CC3)NC4=NC5=CC=CC=C5N4CCC#N)C6=CC(=C(C=C6)F)F.CS(=O)(=O)O

InChI

InChI=1S/C37H42F2N6O4.CH4O3S/c1-47-32-21-25(22-33(48-2)34(32)49-3)35(46)44-20-14-37(24-44,26-9-10-28(38)29(39)23-26)13-19-43-17-11-27(12-18-43)41-36-42-30-7-4-5-8-31(30)45(36)16-6-15-40;1-5(2,3)4/h4-5,7-10,21-23,27H,6,11-14,16-20,24H2,1-3H3,(H,41,42);1H3,(H,2,3,4)