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

Systemtic Name: 2-(2,4-dimethylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]quinoline-4-carboxamide Openeye Name: 2-(2,4-dimethylphenyl)-N-[1-(2-methylpropanoyl)-4-piperidyl]quinoline-4-carboxamide CAS Name: 2-(2,4-dimethylphenyl)-N-[1-(2-methyl-1-oxopropyl)-4-piperidinyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,4-dimethylphenyl)-N-[1-(2-methylpropanoyl)piperidin-4-yl]quinoline-4-carboxamide Traditional Name: 2-(2,4-dimethylphenyl)-N-(1-isobutyryl-4-piperidyl)cinchoninamide Formula: C27H31N3O2 MolecularWeight: 429.55394

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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)C(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O2/c1-17(2)27(32)30-13-11-20(12-14-30)28-26(31)23-16-25(21-10-9-18(3)15-19(21)4)29-24-8-6-5-7-22(23)24/h5-10,15-17,20H,11-14H2,1-4H3,(H,28,31)