N-butyl-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide

Systemtic Name: N-butyl-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-butyl-2-(3-chlorophenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-butyl-2-(3-chlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-butyl-2-(3-chlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-butyl-2-(3-chlorophenyl)-3-methyl-cinchoninamide Formula: C21H21ClN2O MolecularWeight: 352.85724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC(=CC=C3)Cl)C

Isomeric SMILES

CCCCNC(=O)C1=C(C(=NC2=CC=CC=C21)C3=CC(=CC=C3)Cl)C

InChI

InChI=1S/C21H21ClN2O/c1-3-4-12-23-21(25)19-14(2)20(15-8-7-9-16(22)13-15)24-18-11-6-5-10-17(18)19/h5-11,13H,3-4,12H2,1-2H3,(H,23,25)