1-[3-[4-(5-bromanyl-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-[3-[4-(5-bromanyl-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-[3-[4-(5-bromo-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile CAS Name: 1-[3-[4-(5-bromo-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-[3-[4-(5-bromo-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-[3-[4-(5-bromo-1H-indol-3-yl)butylamino]propyl]-1-(4-fluorophenyl)phthalan-5-carbonitrile Formula: C30H29BrFN3O MolecularWeight: 546.473163

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCNCCCCC3=CNC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)F

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCNCCCCC3=CNC4=C3C=C(C=C4)Br)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H29BrFN3O/c31-25-8-12-29-27(17-25)22(19-35-29)4-1-2-14-34-15-3-13-30(24-6-9-26(32)10-7-24)28-11-5-21(18-33)16-23(28)20-36-30/h5-12,16-17,19,34-35H,1-4,13-15,20H2