4-[7-chloranyl-2-(cyclohexylamino)quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide

Systemtic Name: 4-[7-chloranyl-2-(cyclohexylamino)quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Openeye Name: 4-[7-chloro-2-(cyclohexylamino)-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide CAS Name: 4-[7-chloro-2-(cyclohexylamino)-4-quinolinyl]-N-(4-fluorophenyl)-1-piperazinecarboxamide IUPAC Name: 4-[7-chloro-2-(cyclohexylamino)quinolin-4-yl]-N-(4-fluorophenyl)piperazine-1-carboxamide Traditional Name: 4-[7-chloro-2-(cyclohexylamino)-4-quinolyl]-N-(4-fluorophenyl)piperazine-1-carboxamide Formula: C26H29ClFN5O MolecularWeight: 481.992763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=NC3=C(C=CC(=C3)Cl)C(=C2)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)F

Isomeric SMILES

C1CCC(CC1)NC2=NC3=C(C=CC(=C3)Cl)C(=C2)N4CCN(CC4)C(=O)NC5=CC=C(C=C5)F

InChI

InChI=1S/C26H29ClFN5O/c27-18-6-11-22-23(16-18)31-25(29-20-4-2-1-3-5-20)17-24(22)32-12-14-33(15-13-32)26(34)30-21-9-7-19(28)8-10-21/h6-11,16-17,20H,1-5,12-15H2,(H,29,31)(H,30,34)