6-bromanyl-N-[1-(phenylmethyl)piperidin-4-yl]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-N-[1-(phenylmethyl)piperidin-4-yl]-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-6-bromo-2-(4-isopropylphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-N-[1-(phenylmethyl)-4-piperidinyl]-2-(4-propan-2-ylphenyl)-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-bromo-2-(4-propan-2-ylphenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-6-bromo-2-p-cumenyl-cinchoninamide Formula: C31H32BrN3O MolecularWeight: 542.50928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H32BrN3O/c1-21(2)23-8-10-24(11-9-23)30-19-28(27-18-25(32)12-13-29(27)34-30)31(36)33-26-14-16-35(17-15-26)20-22-6-4-3-5-7-22/h3-13,18-19,21,26H,14-17,20H2,1-2H3,(H,33,36)