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

Systemtic Name: N-(5-chloranylpyridin-2-yl)-5-ethynyl-2-[[4-(C-piperidin-1-ylcarbonimidoyl)phenyl]carbonylamino]benzamide Openeye Name: N-(5-chloro-2-pyridyl)-5-ethynyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide CAS Name: N-(5-chloro-2-pyridinyl)-5-ethynyl-2-[[[4-[imino(1-piperidinyl)methyl]phenyl]-oxomethyl]amino]benzamide IUPAC Name: N-(5-chloropyridin-2-yl)-5-ethynyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide Traditional Name: N-(5-chloro-2-pyridyl)-5-ethynyl-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide Formula: C27H24ClN5O2 MolecularWeight: 485.96476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN5O2/c1-2-18-6-12-23(22(16-18)27(35)32-24-13-11-21(28)17-30-24)31-26(34)20-9-7-19(8-10-20)25(29)33-14-4-3-5-15-33/h1,6-13,16-17,29H,3-5,14-15H2,(H,31,34)(H,30,32,35)