1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-[(E)-1-pyridin-3-ylethylideneamino]piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-[(E)-1-pyridin-3-ylethylideneamino]piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-4-fluoro-phenyl)methyl]-N-[(E)-1-(3-pyridyl)ethylideneamino]piperidine-4-carboxamide CAS Name: 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-1-(3-pyridinyl)ethylideneamino]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-4-fluorophenyl)methyl]-N-[(E)-1-pyridin-3-ylethylideneamino]piperidine-4-carboxamide Traditional Name: 1-(2-chloro-4-fluoro-benzyl)-N-[(E)-1-(3-pyridyl)ethylideneamino]isonipecotamide Formula: C20H22ClFN4O MolecularWeight: 388.866283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1CCN(CC1)CC2=C(C=C(C=C2)F)Cl)C3=CN=CC=C3

Isomeric SMILES

C/C(=N\NC(=O)C1CCN(CC1)CC2=C(C=C(C=C2)F)Cl)/C3=CN=CC=C3

InChI

InChI=1S/C20H22ClFN4O/c1-14(16-3-2-8-23-12-16)24-25-20(27)15-6-9-26(10-7-15)13-17-4-5-18(22)11-19(17)21/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3,(H,25,27)/b24-14+