6-bromanyl-2-(4-tert-butylphenyl)-N-(3-phenylpropyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(4-tert-butylphenyl)-N-(3-phenylpropyl)quinoline-4-carboxamide Openeye Name: 6-bromo-2-(4-tert-butylphenyl)-N-(3-phenylpropyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-tert-butylphenyl)-N-(3-phenylpropyl)-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(4-tert-butylphenyl)-N-(3-phenylpropyl)quinoline-4-carboxamide Traditional Name: 6-bromo-2-(4-tert-butylphenyl)-N-(3-phenylpropyl)cinchoninamide Formula: C29H29BrN2O MolecularWeight: 501.45736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C29H29BrN2O/c1-29(2,3)22-13-11-21(12-14-22)27-19-25(24-18-23(30)15-16-26(24)32-27)28(33)31-17-7-10-20-8-5-4-6-9-20/h4-6,8-9,11-16,18-19H,7,10,17H2,1-3H3,(H,31,33)