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

Systemtic Name: 1-[1-[4-(5-bromanyl-1H-indol-3-yl)butan-2-ylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-[1-[[3-(5-bromo-1H-indol-3-yl)-1-methyl-propyl]amino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-[1-[4-(5-bromo-1H-indol-3-yl)butan-2-ylamino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-[1-[4-(5-bromo-1H-indol-3-yl)butan-2-ylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-[1-[[3-(5-bromo-1H-indol-3-yl)-1-methyl-propyl]amino]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)NC(C)CCC4=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)NC(C)CCC4=CNC5=C4C=C(C=C5)Br

InChI

InChI=1S/C30H29BrFN3O/c1-3-29(35-19(2)4-6-21-17-34-28-13-9-24(31)15-26(21)28)30(23-7-10-25(32)11-8-23)27-12-5-20(16-33)14-22(27)18-36-30/h5,7-15,17,19,29,34-35H,3-4,6,18H2,1-2H3