N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide

Systemtic Name: N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide Openeye Name: 2-(4-fluorophenyl)-N-[(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]quinoline-4-carboxamide CAS Name: N-[[2,5-dimethyl-1-(2-methylpropyl)-3-pyrrolyl]methylideneamino]-2-(4-fluorophenyl)-4-quinolinecarboxamide IUPAC Name: N-[[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(4-fluorophenyl)quinoline-4-carboxamide Traditional Name: 2-(4-fluorophenyl)-N-[(1-isobutyl-2,5-dimethyl-pyrrol-3-yl)methyleneamino]cinchoninamide Formula: C27H27FN4O MolecularWeight: 442.527883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1CC(C)C)C)C=NNC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H27FN4O/c1-17(2)16-32-18(3)13-21(19(32)4)15-29-31-27(33)24-14-26(20-9-11-22(28)12-10-20)30-25-8-6-5-7-23(24)25/h5-15,17H,16H2,1-4H3,(H,31,33)