2-[(2,5-dimethylphenyl)amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]quinoline-4-carboxamide

Systemtic Name: 2-[(2,5-dimethylphenyl)amino]-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]quinoline-4-carboxamide Openeye Name: 2-(2,5-dimethylanilino)-N-[3-(3,5-dimethyl-1-piperidyl)propyl]quinoline-4-carboxamide CAS Name: 2-(2,5-dimethylanilino)-N-[3-(3,5-dimethyl-1-piperidinyl)propyl]-4-quinolinecarboxamide IUPAC Name: 2-(2,5-dimethylanilino)-N-[3-(3,5-dimethylpiperidin-1-yl)propyl]quinoline-4-carboxamide Traditional Name: 2-(2,5-dimethylanilino)-N-[3-(3,5-dimethylpiperidino)propyl]cinchoninamide Formula: C28H36N4O MolecularWeight: 444.61164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=C(C=CC(=C4)C)C)C

Isomeric SMILES

CC1CC(CN(C1)CCCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=C(C=CC(=C4)C)C)C

InChI

InChI=1S/C28H36N4O/c1-19-10-11-22(4)26(15-19)31-27-16-24(23-8-5-6-9-25(23)30-27)28(33)29-12-7-13-32-17-20(2)14-21(3)18-32/h5-6,8-11,15-16,20-21H,7,12-14,17-18H2,1-4H3,(H,29,33)(H,30,31)