3-[[(4-chlorophenyl)carbonyl-(4-fluorophenyl)amino]methyl]-1-pyridin-2-yl-piperidine-4-carboxamide

Systemtic Name: 3-[[(4-chlorophenyl)carbonyl-(4-fluorophenyl)amino]methyl]-1-pyridin-2-yl-piperidine-4-carboxamide Openeye Name: 3-[(N-(4-chlorobenzoyl)-4-fluoro-anilino)methyl]-1-(2-pyridyl)piperidine-4-carboxamide CAS Name: 3-[(N-[(4-chlorophenyl)-oxomethyl]-4-fluoroanilino)methyl]-1-(2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 3-[(N-(4-chlorobenzoyl)-4-fluoroanilino)methyl]-1-pyridin-2-ylpiperidine-4-carboxamide Traditional Name: 3-[(N-(4-chlorobenzoyl)-4-fluoro-anilino)methyl]-1-(2-pyridyl)isonipecotamide Formula: C25H24ClFN4O2 MolecularWeight: 466.935063

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C(=O)N)CN(C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC(C1C(=O)N)CN(C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)Cl)C4=CC=CC=N4

InChI

InChI=1S/C25H24ClFN4O2/c26-19-6-4-17(5-7-19)25(33)31(21-10-8-20(27)9-11-21)16-18-15-30(14-12-22(18)24(28)32)23-3-1-2-13-29-23/h1-11,13,18,22H,12,14-16H2,(H2,28,32)