N-(4-methylpentyl)-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-(4-methylpentyl)-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-isohexyl-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-(4-methylpentyl)-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(4-methylpentyl)-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-isohexyl-2-(4-pyridyl)cinchoninamide Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3

Isomeric SMILES

CC(C)CCCNC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=NC=C3

InChI

InChI=1S/C21H23N3O/c1-15(2)6-5-11-23-21(25)18-14-20(16-9-12-22-13-10-16)24-19-8-4-3-7-17(18)19/h3-4,7-10,12-15H,5-6,11H2,1-2H3,(H,23,25)