N-[(1S)-1-cyclohexylethyl]-8-fluoranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-8-fluoranyl-3-[(3-oxidanylidenepiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-8-fluoro-3-[(3-oxopiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-8-fluoro-3-[(3-oxo-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-8-fluoro-3-[(3-oxopiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-8-fluoro-3-[(3-ketopiperazino)methyl]-2-phenyl-cinchoninamide Formula: C29H33FN4O2 MolecularWeight: 488.596323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C3C=CC=C(C3=NC(=C2CN4CCNC(=O)C4)C5=CC=CC=C5)F

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C3C=CC=C(C3=NC(=C2CN4CCNC(=O)C4)C5=CC=CC=C5)F

InChI

InChI=1S/C29H33FN4O2/c1-19(20-9-4-2-5-10-20)32-29(36)26-22-13-8-14-24(30)28(22)33-27(21-11-6-3-7-12-21)23(26)17-34-16-15-31-25(35)18-34/h3,6-8,11-14,19-20H,2,4-5,9-10,15-18H2,1H3,(H,31,35)(H,32,36)/t19-/m0/s1