2-(4-butan-2-ylphenyl)-7-chloranyl-N-[1-(4-ethylphenyl)ethyl]-8-methyl-quinoline-4-carboxamide

Systemtic Name: 2-(4-butan-2-ylphenyl)-7-chloranyl-N-[1-(4-ethylphenyl)ethyl]-8-methyl-quinoline-4-carboxamide Openeye Name: 7-chloro-N-[1-(4-ethylphenyl)ethyl]-8-methyl-2-(4-sec-butylphenyl)quinoline-4-carboxamide CAS Name: 2-(4-butan-2-ylphenyl)-7-chloro-N-[1-(4-ethylphenyl)ethyl]-8-methyl-4-quinolinecarboxamide IUPAC Name: 2-(4-butan-2-ylphenyl)-7-chloro-N-[1-(4-ethylphenyl)ethyl]-8-methylquinoline-4-carboxamide Traditional Name: 7-chloro-N-[1-(4-ethylphenyl)ethyl]-8-methyl-2-(4-sec-butylphenyl)cinchoninamide Formula: C31H33ClN2O MolecularWeight: 485.05952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=C(C=C4)C(C)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=NC3=C2C=CC(=C3C)Cl)C4=CC=C(C=C4)C(C)CC

InChI

InChI=1S/C31H33ClN2O/c1-6-19(3)23-12-14-25(15-13-23)29-18-27(26-16-17-28(32)20(4)30(26)34-29)31(35)33-21(5)24-10-8-22(7-2)9-11-24/h8-19,21H,6-7H2,1-5H3,(H,33,35)