N-[(1S)-1-cyclohexylethyl]-6-fluoranyl-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide

Systemtic Name: N-[(1S)-1-cyclohexylethyl]-6-fluoranyl-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide Openeye Name: N-[(1S)-1-cyclohexylethyl]-6-fluoro-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide CAS Name: N-[(1S)-1-cyclohexylethyl]-6-fluoro-2-phenyl-3-(1-piperazinylmethyl)-4-quinolinecarboxamide IUPAC Name: N-[(1S)-1-cyclohexylethyl]-6-fluoro-2-phenyl-3-(piperazin-1-ylmethyl)quinoline-4-carboxamide Traditional Name: N-[(1S)-1-cyclohexylethyl]-6-fluoro-2-phenyl-3-(piperazinomethyl)cinchoninamide Formula: C29H35FN4O MolecularWeight: 474.612803

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCCC1)NC(=O)C2=C3C=C(C=CC3=NC(=C2CN4CCNCC4)C5=CC=CC=C5)F

Isomeric SMILES

C[C@@H](C1CCCCC1)NC(=O)C2=C3C=C(C=CC3=NC(=C2CN4CCNCC4)C5=CC=CC=C5)F

InChI

InChI=1S/C29H35FN4O/c1-20(21-8-4-2-5-9-21)32-29(35)27-24-18-23(30)12-13-26(24)33-28(22-10-6-3-7-11-22)25(27)19-34-16-14-31-15-17-34/h3,6-7,10-13,18,20-21,31H,2,4-5,8-9,14-17,19H2,1H3,(H,32,35)/t20-/m0/s1