2-(2,4-dimethylphenyl)-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]quinoline-4-carboxamide

Systemtic Name: 2-(2,4-dimethylphenyl)-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-[1-(furan-3-carbonyl)-4-piperidyl]quinoline-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[1-(3-furoyl)-4-piperidyl]cinchoninamide Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCN(CC4)C(=O)C5=COC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCN(CC4)C(=O)C5=COC=C5)C

InChI

InChI=1S/C28H27N3O3/c1-18-7-8-22(19(2)15-18)26-16-24(23-5-3-4-6-25(23)30-26)27(32)29-21-9-12-31(13-10-21)28(33)20-11-14-34-17-20/h3-8,11,14-17,21H,9-10,12-13H2,1-2H3,(H,29,32)