4-[2-(5-bromanylquinolin-8-yl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(5-bromanylquinolin-8-yl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-benzyloxy-2-(5-bromo-8-quinolyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(5-bromo-8-quinolinyl)-5-phenylmethoxy-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(5-bromoquinolin-8-yl)-5-phenylmethoxy-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-benzoxy-2-(5-bromo-8-quinolyl)-1H-indol-3-yl]butylamine Formula: C28H26BrN3O MolecularWeight: 500.42954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CCCCN)C4=C5C(=C(C=C4)Br)C=CC=N5

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC(=C3CCCCN)C4=C5C(=C(C=C4)Br)C=CC=N5

InChI

InChI=1S/C28H26BrN3O/c29-25-13-12-23(27-22(25)10-6-16-31-27)28-21(9-4-5-15-30)24-17-20(11-14-26(24)32-28)33-18-19-7-2-1-3-8-19/h1-3,6-8,10-14,16-17,32H,4-5,9,15,18,30H2