N-(5-chloranylpyridin-2-yl)-5-ethynyl-3-methoxy-2-[[4-(C-piperidin-1-ylcarbonimidoyl)phenyl]carbonylamino]benzamide

Systemtic Name: N-(5-chloranylpyridin-2-yl)-5-ethynyl-3-methoxy-2-[[4-(C-piperidin-1-ylcarbonimidoyl)phenyl]carbonylamino]benzamide Openeye Name: N-(5-chloro-2-pyridyl)-5-ethynyl-3-methoxy-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]-3-methoxybenzamide IUPAC Name: N-(5-chloropyridin-2-yl)-5-ethynyl-3-methoxy-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide Traditional Name: N-(5-chloro-2-pyridyl)-5-ethynyl-3-methoxy-2-[[4-(piperidine-1-carboximidoyl)benzoyl]amino]benzamide Formula: C28H26ClN5O3 MolecularWeight: 515.99074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1NC(=O)C2=CC=C(C=C2)C(=N)N3CCCCC3)C(=O)NC4=NC=C(C=C4)Cl)C#C

Isomeric SMILES

COC1=CC(=CC(=C1NC(=O)C2=CC=C(C=C2)C(=N)N3CCCCC3)C(=O)NC4=NC=C(C=C4)Cl)C#C

InChI

InChI=1S/C28H26ClN5O3/c1-3-18-15-22(28(36)32-24-12-11-21(29)17-31-24)25(23(16-18)37-2)33-27(35)20-9-7-19(8-10-20)26(30)34-13-5-4-6-14-34/h1,7-12,15-17,30H,4-6,13-14H2,2H3,(H,33,35)(H,31,32,36)