N-hexyl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide

Systemtic Name: N-hexyl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide Openeye Name: N-hexyl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide CAS Name: N-hexyl-6-methyl-2-(1-methyl-2-pyrrolyl)-4-quinolinecarboxamide IUPAC Name: N-hexyl-6-methyl-2-(1-methylpyrrol-2-yl)quinoline-4-carboxamide Traditional Name: N-hexyl-6-methyl-2-(1-methylpyrrol-2-yl)cinchoninamide Formula: C22H27N3O MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=CN3C

Isomeric SMILES

CCCCCCNC(=O)C1=CC(=NC2=C1C=C(C=C2)C)C3=CC=CN3C

InChI

InChI=1S/C22H27N3O/c1-4-5-6-7-12-23-22(26)18-15-20(21-9-8-13-25(21)3)24-19-11-10-16(2)14-17(18)19/h8-11,13-15H,4-7,12H2,1-3H3,(H,23,26)