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

Systemtic Name: 3-azanyl-4-ethyl-1-(4-fluorophenyl)-3-[3-(5-iodanyl-1H-indol-3-yl)propyl]-1-propyl-2-benzofuran-5-carbonitrile Openeye Name: 3-amino-4-ethyl-1-(4-fluorophenyl)-3-[3-(5-iodo-1H-indol-3-yl)propyl]-1-propyl-isobenzofuran-5-carbonitrile CAS Name: 3-amino-4-ethyl-1-(4-fluorophenyl)-3-[3-(5-iodo-1H-indol-3-yl)propyl]-1-propyl-5-isobenzofurancarbonitrile IUPAC Name: 3-amino-4-ethyl-1-(4-fluorophenyl)-3-[3-(5-iodo-1H-indol-3-yl)propyl]-1-propyl-2-benzofuran-5-carbonitrile Traditional Name: 3-amino-4-ethyl-1-(4-fluorophenyl)-3-[3-(5-iodo-1H-indol-3-yl)propyl]-1-propyl-phthalan-5-carbonitrile Formula: C31H31FIN3O MolecularWeight: 607.500213

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H31FIN3O/c1-3-15-30(22-8-10-23(32)11-9-22)27-13-7-20(18-34)25(4-2)29(27)31(35,37-30)16-5-6-21-19-36-28-14-12-24(33)17-26(21)28/h7-14,17,19,36H,3-6,15-16,35H2,1-2H3