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

Systemtic Name: 1-[1-[4-(5-bromanyl-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-[1-[4-(5-bromo-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-[1-[4-(5-bromo-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-[1-[4-(5-bromo-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-[1-[4-(5-bromo-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)phthalan-5-carbonitrile Formula: C30H29BrFN3O MolecularWeight: 546.473163

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)NCCCCC4=CNC5=C4C=C(C=C5)Br

Isomeric SMILES

CCC(C1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)NCCCCC4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C30H29BrFN3O/c1-2-29(34-14-4-3-5-21-18-35-28-13-9-24(31)16-26(21)28)30(23-7-10-25(32)11-8-23)27-12-6-20(17-33)15-22(27)19-36-30/h6-13,15-16,18,29,34-35H,2-5,14,19H2,1H3