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

Systemtic Name: 1-(4-fluorophenyl)-1-[3-(3-phenoxypropylamino)propyl]-3H-2-benzofuran-5-carbonitrile Openeye Name: 1-(4-fluorophenyl)-1-[3-(3-phenoxypropylamino)propyl]-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-1-[3-(3-phenoxypropylamino)propyl]-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-1-[3-(3-phenoxypropylamino)propyl]-3H-2-benzofuran-5-carbonitrile Traditional Name: 1-(4-fluorophenyl)-1-[3-(3-phenoxypropylamino)propyl]phthalan-5-carbonitrile Formula: C27H27FN2O2 MolecularWeight: 430.513883

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCNCCCOC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C2=C(C=CC(=C2)C#N)C(O1)(CCCNCCCOC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H27FN2O2/c28-24-11-9-23(10-12-24)27(26-13-8-21(19-29)18-22(26)20-32-27)14-4-15-30-16-5-17-31-25-6-2-1-3-7-25/h1-3,6-13,18,30H,4-5,14-17,20H2