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

Systemtic Name: 6-bromanyl-2-(4-ethylphenyl)-N-[1-(phenylmethyl)piperidin-4-yl]quinoline-4-carboxamide Openeye Name: N-(1-benzyl-4-piperidyl)-6-bromo-2-(4-ethylphenyl)quinoline-4-carboxamide CAS Name: 6-bromo-2-(4-ethylphenyl)-N-[1-(phenylmethyl)-4-piperidinyl]-4-quinolinecarboxamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-6-bromo-2-(4-ethylphenyl)quinoline-4-carboxamide Traditional Name: N-(1-benzyl-4-piperidyl)-6-bromo-2-(4-ethylphenyl)cinchoninamide Formula: C30H30BrN3O MolecularWeight: 528.4827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)NC4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCC1=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/C30H30BrN3O/c1-2-21-8-10-23(11-9-21)29-19-27(26-18-24(31)12-13-28(26)33-29)30(35)32-25-14-16-34(17-15-25)20-22-6-4-3-5-7-22/h3-13,18-19,25H,2,14-17,20H2,1H3,(H,32,35)