N-(5-chloranylpyridin-2-yl)-5-ethynyl-2-[[2-fluoranyl-4-(C-piperidin-1-ylcarbonimidoyl)phenyl]carbonylamino]benzamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-5-ethynyl-2-[[2-fluoranyl-4-(C-piperidin-1-ylcarbonimidoyl)phenyl]carbonylamino]benzamide Openeye Name: N-(5-chloro-2-pyridyl)-5-ethynyl-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide CAS Name: N-(5-chloro-2-pyridinyl)-5-ethynyl-2-[[[2-fluoro-4-[imino(1-piperidinyl)methyl]phenyl]-oxomethyl]amino]benzamide IUPAC Name: N-(5-chloropyridin-2-yl)-5-ethynyl-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide Traditional Name: N-(5-chloro-2-pyridyl)-5-ethynyl-2-[[2-fluoro-4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide Formula: C27H23ClFN5O2 MolecularWeight: 503.955223

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=N)N3CCCCC3)F)C(=O)NC4=NC=C(C=C4)Cl

Isomeric SMILES

C#CC1=CC(=C(C=C1)NC(=O)C2=C(C=C(C=C2)C(=N)N3CCCCC3)F)C(=O)NC4=NC=C(C=C4)Cl

InChI

InChI=1S/C27H23ClFN5O2/c1-2-17-6-10-23(21(14-17)27(36)33-24-11-8-19(28)16-31-24)32-26(35)20-9-7-18(15-22(20)29)25(30)34-12-4-3-5-13-34/h1,6-11,14-16,30H,3-5,12-13H2,(H,32,35)(H,31,33,36)