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

Systemtic Name: 1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-propyl-1H-indol-3-yl)ethyl]-2-benzofuran-5-carbonitrile Openeye Name: 1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-propyl-1H-indol-3-yl)ethyl]isobenzofuran-5-carbonitrile CAS Name: 1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-propyl-1H-indol-3-yl)ethyl]-5-isobenzofurancarbonitrile IUPAC Name: 1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-propyl-1H-indol-3-yl)ethyl]-2-benzofuran-5-carbonitrile Traditional Name: 1-butyl-1-(4-fluorophenyl)-3-(methylamino)-3-[2-(5-propyl-1H-indol-3-yl)ethyl]phthalan-5-carbonitrile Formula: C33H36FN3O MolecularWeight: 509.656843

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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)CCC)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)CCC)NC)C5=CC=C(C=C5)F

InChI

InChI=1S/C33H36FN3O/c1-4-6-17-32(26-10-12-27(34)13-11-26)29-14-8-24(21-35)20-30(29)33(36-3,38-32)18-16-25-22-37-31-15-9-23(7-5-2)19-28(25)31/h8-15,19-20,22,36-37H,4-7,16-18H2,1-3H3