N-[(cyanoamino)-[[4-(2-piperidin-1-ylethyl)phenyl]amino]methylidene]-4-fluoranyl-benzamide

Systemtic Name: N-[(cyanoamino)-[[4-(2-piperidin-1-ylethyl)phenyl]amino]methylidene]-4-fluoranyl-benzamide Openeye Name: N-[(cyanoamino)-[4-[2-(1-piperidyl)ethyl]anilino]methylene]-4-fluoro-benzamide CAS Name: N-[(cyanoamino)-[4-[2-(1-piperidinyl)ethyl]anilino]methylidene]-4-fluorobenzamide IUPAC Name: N-[(cyanoamino)-[4-(2-piperidin-1-ylethyl)anilino]methylidene]-4-fluorobenzamide Traditional Name: N-[(cyanoamino)-[4-(2-piperidinoethyl)anilino]methylene]-4-fluoro-benzamide Formula: C22H24FN5O MolecularWeight: 393.457263

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC2=CC=C(C=C2)NC(=NC(=O)C3=CC=C(C=C3)F)NC#N

Isomeric SMILES

C1CCN(CC1)CCC2=CC=C(C=C2)NC(=NC(=O)C3=CC=C(C=C3)F)NC#N

InChI

InChI=1S/C22H24FN5O/c23-19-8-6-18(7-9-19)21(29)27-22(25-16-24)26-20-10-4-17(5-11-20)12-15-28-13-2-1-3-14-28/h4-11H,1-3,12-15H2,(H2,25,26,27,29)