N-(4-bromanyl-2-fluoranyl-phenyl)-1-(5-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-1-(5-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-1-(5-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-1-[5-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-1-(5-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-1-(5-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C21H20BrFN4O MolecularWeight: 443.312103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)Br)F)C3=NC=C(C=C3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)Br)F)C3=NC=C(C=C3)N4C=CC=C4

InChI

InChI=1S/C21H20BrFN4O/c22-16-3-5-19(18(23)13-16)25-21(28)15-7-11-27(12-8-15)20-6-4-17(14-24-20)26-9-1-2-10-26/h1-6,9-10,13-15H,7-8,11-12H2,(H,25,28)