N-[3-(5-methyl-2-propan-2-yl-phenoxy)-5-nitro-phenyl]-2-phenyl-quinoline-4-carboxamide

Systemtic Name: N-[3-(5-methyl-2-propan-2-yl-phenoxy)-5-nitro-phenyl]-2-phenyl-quinoline-4-carboxamide Openeye Name: N-[3-(2-isopropyl-5-methyl-phenoxy)-5-nitro-phenyl]-2-phenyl-quinoline-4-carboxamide CAS Name: N-[3-(5-methyl-2-propan-2-ylphenoxy)-5-nitrophenyl]-2-phenyl-4-quinolinecarboxamide IUPAC Name: N-[3-(5-methyl-2-propan-2-ylphenoxy)-5-nitrophenyl]-2-phenylquinoline-4-carboxamide Traditional Name: N-[3-(2-isopropyl-5-methyl-phenoxy)-5-nitro-phenyl]-2-phenyl-cinchoninamide Formula: C32H27N3O4 MolecularWeight: 517.57448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C32H27N3O4/c1-20(2)26-14-13-21(3)15-31(26)39-25-17-23(16-24(18-25)35(37)38)33-32(36)28-19-30(22-9-5-4-6-10-22)34-29-12-8-7-11-27(28)29/h4-20H,1-3H3,(H,33,36)