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

Systemtic Name: 1-(4-fluorophenyl)-1-[4-[3-(5-iodanyl-1H-indol-3-yl)propylamino]butyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-1-[4-[3-(5-iodo-1H-indol-3-yl)propylamino]butyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-1-[4-[3-(5-iodo-1H-indol-3-yl)propylamino]butyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-1-[4-[3-(5-iodo-1H-indol-3-yl)propylamino]butyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-fluorophenyl)-1-[4-[3-(5-iodo-1H-indol-3-yl)propylamino]butyl]phthalan-5-carbonitrile Formula: C30H29FIN3O MolecularWeight: 593.473633

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCCNCCCC3=CNC4=C3C=C(C=C4)I)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCCNCCCC3=CNC4=C3C=C(C=C4)I)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H29FIN3O/c31-25-8-6-24(7-9-25)30(28-11-5-21(18-33)16-23(28)20-36-30)13-1-2-14-34-15-3-4-22-19-35-29-12-10-26(32)17-27(22)29/h5-12,16-17,19,34-35H,1-4,13-15,20H2