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

Systemtic Name: 5-chloranyl-N-(5-ethynylpyridin-2-yl)-2-[[4-(C-piperidin-1-ylcarbonimidoyl)phenyl]carbonylamino]benzamide Openeye Name: 5-chloro-N-(5-ethynyl-2-pyridyl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide CAS Name: 5-chloro-N-(5-ethynyl-2-pyridinyl)-2-[[[4-[imino(1-piperidinyl)methyl]phenyl]-oxomethyl]amino]benzamide IUPAC Name: 5-chloro-N-(5-ethynylpyridin-2-yl)-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide Traditional Name: 5-chloro-N-(5-ethynyl-2-pyridyl)-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=CN=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=C(C=C3)C(=N)N4CCCCC4

Isomeric SMILES

C#CC1=CN=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=C(C=C3)C(=N)N4CCCCC4

InChI

InChI=1S/C27H24ClN5O2/c1-2-18-6-13-24(30-17-18)32-27(35)22-16-21(28)11-12-23(22)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)