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

Systemtic Name: N-(4-butylphenyl)-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-(4-butylphenyl)-2-(4-chlorophenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-(4-butylphenyl)-2-(4-chlorophenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-(4-butylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-(4-butylphenyl)-2-(4-chlorophenyl)-3-methyl-cinchoninamide Formula: C27H25ClN2O MolecularWeight: 428.9532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C27H25ClN2O/c1-3-4-7-19-10-16-22(17-11-19)29-27(31)25-18(2)26(20-12-14-21(28)15-13-20)30-24-9-6-5-8-23(24)25/h5-6,8-17H,3-4,7H2,1-2H3,(H,29,31)