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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(C=CC(=C2)C#N)C(O1)(C3=CC=C(C=C3)F)C(CC)NCCCC4=CNC5=C4C=C(C=C5)I

Isomeric SMILES

CCC1C2=C(C=CC(=C2)C#N)C(O1)(C3=CC=C(C=C3)F)C(CC)NCCCC4=CNC5=C4C=C(C=C5)I

InChI

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