1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-benzofuran-5-carbonitrile

Systemtic Name: 1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-benzofuran-5-carbonitrile Openeye Name: 1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]isobenzofuran-5-carbonitrile CAS Name: 1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-isobenzofurancarbonitrile IUPAC Name: 1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]-2-benzofuran-5-carbonitrile Traditional Name: 1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-methyl-1H-indol-3-yl)ethyl]phthalan-5-carbonitrile Formula: C31H32FN3O MolecularWeight: 481.603683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C2=C(C=C(C=C2)C#N)C(O1)(CCC3=CNC4=C3C=C(C=C4)C)NC)C5=CC=C(C=C5)F

Isomeric SMILES

CCCCC1(C2=C(C=C(C=C2)C#N)C(O1)(CCC3=CNC4=C3C=C(C=C4)C)NC)C5=CC=C(C=C5)F

InChI

InChI=1S/C31H32FN3O/c1-4-5-15-30(24-8-10-25(32)11-9-24)27-12-7-22(19-33)18-28(27)31(34-3,36-30)16-14-23-20-35-29-13-6-21(2)17-26(23)29/h6-13,17-18,20,34-35H,4-5,14-16H2,1-3H3