N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromanyl-1-methyl-indol-3-yl)-7-fluoranyl-quinoline-4-carboxamide

Systemtic Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromanyl-1-methyl-indol-3-yl)-7-fluoranyl-quinoline-4-carboxamide Openeye Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1-methyl-indol-3-yl)-7-fluoro-quinoline-4-carboxamide CAS Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1-methyl-3-indolyl)-7-fluoro-4-quinolinecarboxamide IUPAC Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1-methylindol-3-yl)-7-fluoroquinoline-4-carboxamide Traditional Name: N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(5-bromo-1-methyl-indol-3-yl)-7-fluoro-cinchoninamide Formula: C27H28BrFN4O MolecularWeight: 523.439823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=CC(=C4)F)C(=C3)C(=O)NCC5CCC(CC5)CN

Isomeric SMILES

CN1C=C(C2=C1C=CC(=C2)Br)C3=NC4=C(C=CC(=C4)F)C(=C3)C(=O)NCC5CCC(CC5)CN

InChI

InChI=1S/C27H28BrFN4O/c1-33-15-23(21-10-18(28)6-9-26(21)33)25-12-22(20-8-7-19(29)11-24(20)32-25)27(34)31-14-17-4-2-16(13-30)3-5-17/h6-12,15-17H,2-5,13-14,30H2,1H3,(H,31,34)