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

Systemtic Name: 1-[3-[3-(5-bromanyl-1H-indol-3-yl)propylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-[3-[3-(5-bromo-1H-indol-3-yl)propylamino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-[3-[3-(5-bromo-1H-indol-3-yl)propylamino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-[3-[3-(5-bromo-1H-indol-3-yl)propylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-[3-[3-(5-bromo-1H-indol-3-yl)propylamino]propyl]-1-(4-fluorophenyl)phthalan-5-carbonitrile Formula: C29H27BrFN3O MolecularWeight: 532.446583

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCNCCCC3=CNC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCNCCCC3=CNC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H27BrFN3O/c30-24-7-11-28-26(16-24)21(18-34-28)3-1-13-33-14-2-12-29(23-5-8-25(31)9-6-23)27-10-4-20(17-32)15-22(27)19-35-29/h4-11,15-16,18,33-34H,1-3,12-14,19H2