1-(4-fluorophenyl)-3-[3-(2-phenoxyethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(4-fluorophenyl)-3-[3-(2-phenoxyethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-3-[3-(2-phenoxyethylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-3-[3-(2-phenoxyethylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-3-[3-(2-phenoxyethylamino)propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-fluorophenyl)-3-[3-(2-phenoxyethylamino)propyl]phthalan-5-carbonitrile Formula: C26H25FN2O2 MolecularWeight: 416.487303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCNCCCC2C3=C(C=CC(=C3)C#N)C(O2)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)OCCNCCCC2C3=C(C=CC(=C3)C#N)C(O2)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H25FN2O2/c27-21-11-9-20(10-12-21)26-23-13-8-19(18-28)17-24(23)25(31-26)7-4-14-29-15-16-30-22-5-2-1-3-6-22/h1-3,5-6,8-13,17,25-26,29H,4,7,14-16H2