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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(C=C(C=C2)C#N)C(O1)(CCCC3=CNC4=C3C=C(C=C4)Br)NC)C5=CC=C(C=C5)F

Isomeric SMILES

CCCC1(C2=C(C=C(C=C2)C#N)C(O1)(CCCC3=CNC4=C3C=C(C=C4)Br)NC)C5=CC=C(C=C5)F

InChI

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