N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)-1-piperazinyl]-4-quinolinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]quinoline-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-[4-(4-fluorophenyl)piperazino]cinchoninamide Formula: C27H24F2N4O MolecularWeight: 458.502466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=C(C=C5)F)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)N4CCN(CC4)C5=CC=C(C=C5)F)F

InChI

InChI=1S/C27H24F2N4O/c1-18-6-9-20(16-24(18)29)30-27(34)23-17-26(31-25-5-3-2-4-22(23)25)33-14-12-32(13-15-33)21-10-7-19(28)8-11-21/h2-11,16-17H,12-15H2,1H3,(H,30,34)