2-[3-(2-methylpropoxy)phenyl]-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide

Systemtic Name: 2-[3-(2-methylpropoxy)phenyl]-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide Openeye Name: 2-(3-isobutoxyphenyl)-N-(2-pyridylmethyl)quinoline-4-carboxamide CAS Name: 2-[3-(2-methylpropoxy)phenyl]-N-(2-pyridinylmethyl)-4-quinolinecarboxamide IUPAC Name: 2-[3-(2-methylpropoxy)phenyl]-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide Traditional Name: 2-(3-isobutoxyphenyl)-N-(2-pyridylmethyl)cinchoninamide Formula: C26H25N3O2 MolecularWeight: 411.4956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C26H25N3O2/c1-18(2)17-31-21-10-7-8-19(14-21)25-15-23(22-11-3-4-12-24(22)29-25)26(30)28-16-20-9-5-6-13-27-20/h3-15,18H,16-17H2,1-2H3,(H,28,30)