2-[4-(2-methylpropyl)phenyl]-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide Openeye Name: 2-(4-isobutylphenyl)-N-[1-(4-pyridyl)ethyl]quinoline-4-carboxamide CAS Name: 2-[4-(2-methylpropyl)phenyl]-N-(1-pyridin-4-ylethyl)-4-quinolinecarboxamide IUPAC Name: 2-[4-(2-methylpropyl)phenyl]-N-(1-pyridin-4-ylethyl)quinoline-4-carboxamide Traditional Name: 2-(4-isobutylphenyl)-N-[1-(4-pyridyl)ethyl]cinchoninamide Formula: C27H27N3O MolecularWeight: 409.52278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(C)C4=CC=NC=C4

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(C)C4=CC=NC=C4

InChI

InChI=1S/C27H27N3O/c1-18(2)16-20-8-10-22(11-9-20)26-17-24(23-6-4-5-7-25(23)30-26)27(31)29-19(3)21-12-14-28-15-13-21/h4-15,17-19H,16H2,1-3H3,(H,29,31)