(4-fluorophenyl)-[2-[4-[2-[3-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]methanone

Systemtic Name: (4-fluorophenyl)-[2-[4-[2-[3-phenyl-1-(3,4,5-trimethoxyphenyl)carbonyl-pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]methanone Openeye Name: (4-fluorophenyl)-[2-[4-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]methanone CAS Name: (4-fluorophenyl)-[2-[4-[2-[1-[oxo-(3,4,5-trimethoxyphenyl)methyl]-3-phenyl-3-pyrrolidinyl]ethyl]-1,4-diazepan-1-yl]-1-benzimidazolyl]methanone IUPAC Name: (4-fluorophenyl)-[2-[4-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]methanone Traditional Name: (4-fluorophenyl)-[2-[4-[2-[3-phenyl-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]ethyl]-1,4-diazepan-1-yl]benzimidazol-1-yl]methanone Formula: C41H44FN5O5 MolecularWeight: 705.816963

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4C(=O)C6=CC=C(C=C6)F)C7=CC=CC=C7

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N2CCC(C2)(CCN3CCCN(CC3)C4=NC5=CC=CC=C5N4C(=O)C6=CC=C(C=C6)F)C7=CC=CC=C7

InChI

InChI=1S/C41H44FN5O5/c1-50-35-26-30(27-36(51-2)37(35)52-3)38(48)46-23-19-41(28-46,31-10-5-4-6-11-31)18-22-44-20-9-21-45(25-24-44)40-43-33-12-7-8-13-34(33)47(40)39(49)29-14-16-32(42)17-15-29/h4-8,10-17,26-27H,9,18-25,28H2,1-3H3