4-[(7-chloranyl-6-fluoranyl-3-piperidin-1-ylcarbonyl-cinnolin-4-yl)amino]-N-phenyl-benzamide

Systemtic Name: 4-[(7-chloranyl-6-fluoranyl-3-piperidin-1-ylcarbonyl-cinnolin-4-yl)amino]-N-phenyl-benzamide Openeye Name: 4-[[7-chloro-6-fluoro-3-(piperidine-1-carbonyl)cinnolin-4-yl]amino]-N-phenyl-benzamide CAS Name: 4-[[7-chloro-6-fluoro-3-[oxo(1-piperidinyl)methyl]-4-cinnolinyl]amino]-N-phenylbenzamide IUPAC Name: 4-[[7-chloro-6-fluoro-3-(piperidine-1-carbonyl)cinnolin-4-yl]amino]-N-phenylbenzamide Traditional Name: 4-[[7-chloro-6-fluoro-3-(piperidine-1-carbonyl)cinnolin-4-yl]amino]-N-phenyl-benzamide Formula: C27H23ClFN5O2 MolecularWeight: 503.955223

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C3=CC(=C(C=C3N=N2)Cl)F)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C3=CC(=C(C=C3N=N2)Cl)F)NC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C27H23ClFN5O2/c28-21-16-23-20(15-22(21)29)24(25(33-32-23)27(36)34-13-5-2-6-14-34)30-19-11-9-17(10-12-19)26(35)31-18-7-3-1-4-8-18/h1,3-4,7-12,15-16H,2,5-6,13-14H2,(H,30,32)(H,31,35)