N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(2-benzoyl-4-chloro-phenyl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(2-benzoyl-4-chloro-phenyl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C33H27ClN2O3 MolecularWeight: 535.03208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4)Cl)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H27ClN2O3/c1-21(2)20-39-25-12-8-11-23(17-25)31-19-27(26-13-6-7-14-29(26)35-31)33(38)36-30-16-15-24(34)18-28(30)32(37)22-9-4-3-5-10-22/h3-19,21H,20H2,1-2H3,(H,36,38)