N-(2-chloranyl-4-fluoranyl-phenyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide

Systemtic Name: N-(2-chloranyl-4-fluoranyl-phenyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Openeye Name: N-(2-chloro-4-fluoro-phenyl)-1-(3-pyrrol-1-yl-2-pyridyl)piperidine-4-carboxamide CAS Name: N-(2-chloro-4-fluorophenyl)-1-[3-(1-pyrrolyl)-2-pyridinyl]-4-piperidinecarboxamide IUPAC Name: N-(2-chloro-4-fluorophenyl)-1-(3-pyrrol-1-ylpyridin-2-yl)piperidine-4-carboxamide Traditional Name: N-(2-chloro-4-fluoro-phenyl)-1-(3-pyrrol-1-yl-2-pyridyl)isonipecotamide Formula: C21H20ClFN4O MolecularWeight: 398.861103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)F)Cl)C3=C(C=CC=N3)N4C=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=C(C=C(C=C2)F)Cl)C3=C(C=CC=N3)N4C=CC=C4

InChI

InChI=1S/C21H20ClFN4O/c22-17-14-16(23)5-6-18(17)25-21(28)15-7-12-27(13-8-15)20-19(4-3-9-24-20)26-10-1-2-11-26/h1-6,9-11,14-15H,7-8,12-13H2,(H,25,28)