N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide

Systemtic Name: N-[(5-bromanyl-2-methoxy-phenyl)methyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide Openeye Name: N-[(5-bromo-2-methoxy-phenyl)methyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide CAS Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-[1-[(3-fluorophenyl)methyl]-2-benzimidazolyl]-4-piperidinecarboxamide IUPAC Name: N-[(5-bromo-2-methoxyphenyl)methyl]-1-[1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]piperidine-4-carboxamide Traditional Name: N-(5-bromo-2-methoxy-benzyl)-1-[1-(3-fluorobenzyl)benzimidazol-2-yl]isonipecotamide Formula: C28H28BrFN4O2 MolecularWeight: 551.449923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CNC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4N3CC5=CC(=CC=C5)F

InChI

InChI=1S/C28H28BrFN4O2/c1-36-26-10-9-22(29)16-21(26)17-31-27(35)20-11-13-33(14-12-20)28-32-24-7-2-3-8-25(24)34(28)18-19-5-4-6-23(30)15-19/h2-10,15-16,20H,11-14,17-18H2,1H3,(H,31,35)