N-(3-fluoranyl-4-methyl-phenyl)-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-(4-methyl-1-piperazinyl)-4-quinolinecarboxamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-(4-methylpiperazin-1-yl)quinoline-4-carboxamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-(4-methylpiperazino)cinchoninamide Formula: C22H23FN4O MolecularWeight: 378.442623

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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)C)F

Isomeric SMILES

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

InChI

InChI=1S/C22H23FN4O/c1-15-7-8-16(13-19(15)23)24-22(28)18-14-21(27-11-9-26(2)10-12-27)25-20-6-4-3-5-17(18)20/h3-8,13-14H,9-12H2,1-2H3,(H,24,28)