1-(4-fluorophenyl)-1-[3-[3-(3-methoxyphenyl)propylamino]propyl]-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(4-fluorophenyl)-1-[3-[3-(3-methoxyphenyl)propylamino]propyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-1-[3-[3-(3-methoxyphenyl)propylamino]propyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-1-[3-[3-(3-methoxyphenyl)propylamino]propyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-1-[3-[3-(3-methoxyphenyl)propylamino]propyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-fluorophenyl)-1-[3-[3-(3-methoxyphenyl)propylamino]propyl]phthalan-5-carbonitrile Formula: C28H29FN2O2 MolecularWeight: 444.540463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CCCNCCCC2(C3=C(CO2)C=C(C=C3)C#N)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)CCCNCCCC2(C3=C(CO2)C=C(C=C3)C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H29FN2O2/c1-32-26-7-2-5-21(18-26)6-3-15-31-16-4-14-28(24-9-11-25(29)12-10-24)27-13-8-22(19-30)17-23(27)20-33-28/h2,5,7-13,17-18,31H,3-4,6,14-16,20H2,1H3