1-[3-[2-(5-bromanyl-1H-indol-3-yl)ethyl-propyl-amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-[3-[2-(5-bromanyl-1H-indol-3-yl)ethyl-propyl-amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-[3-[2-(5-bromo-1H-indol-3-yl)ethyl-propyl-amino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-[3-[2-(5-bromo-1H-indol-3-yl)ethyl-propylamino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-[3-[2-(5-bromo-1H-indol-3-yl)ethyl-propylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-[3-[2-(5-bromo-1H-indol-3-yl)ethyl-propyl-amino]propyl]-1-(4-fluorophenyl)phthalan-5-carbonitrile Formula: C31H31BrFN3O MolecularWeight: 560.499743

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)CCC4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

CCCN(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)CCC4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C31H31BrFN3O/c1-2-14-36(16-12-23-20-35-30-11-7-26(32)18-28(23)30)15-3-13-31(25-5-8-27(33)9-6-25)29-10-4-22(19-34)17-24(29)21-37-31/h4-11,17-18,20,35H,2-3,12-16,21H2,1H3