2-chloranyl-N-[(1S)-1-cyclohexylethyl]-6-fluoranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]quinoline-4-carboxamide

Systemtic Name: 2-chloranyl-N-[(1S)-1-cyclohexylethyl]-6-fluoranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]quinoline-4-carboxamide Openeye Name: 2-chloro-N-[(1S)-1-cyclohexylethyl]-6-fluoro-3-[(3-oxopiperazin-1-yl)methyl]quinoline-4-carboxamide CAS Name: 2-chloro-N-[(1S)-1-cyclohexylethyl]-6-fluoro-3-[(3-oxo-1-piperazinyl)methyl]-4-quinolinecarboxamide IUPAC Name: 2-chloro-N-[(1S)-1-cyclohexylethyl]-6-fluoro-3-[(3-oxopiperazin-1-yl)methyl]quinoline-4-carboxamide Traditional Name: 2-chloro-N-[(1S)-1-cyclohexylethyl]-6-fluoro-3-[(3-ketopiperazino)methyl]cinchoninamide Formula: C23H28ClFN4O2 MolecularWeight: 446.945423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C3C=C(C=CC3=NC(=C2CN4CCNC(=O)C4)Cl)F

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C3C=C(C=CC3=NC(=C2CN4CCNC(=O)C4)Cl)F

InChI

InChI=1S/C23H28ClFN4O2/c1-14(15-5-3-2-4-6-15)27-23(31)21-17-11-16(25)7-8-19(17)28-22(24)18(21)12-29-10-9-26-20(30)13-29/h7-8,11,14-15H,2-6,9-10,12-13H2,1H3,(H,26,30)(H,27,31)/t14-/m0/s1