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

Systemtic Name: 2-(2,4-dimethylphenyl)-N-[1-(furan-2-ylcarbonyl)piperidin-4-yl]quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)-4-piperidyl]quinoline-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N-[1-[2-furanyl(oxo)methyl]-4-piperidinyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-[1-(2-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=CC=CO5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4CCN(CC4)C(=O)C5=CC=CO5)C

InChI

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