1-(4-fluorophenyl)-3-(3-phenylmethoxypropylamino)-1-propyl-3H-2-benzofuran-5-carbonitrile

Systemtic Name: 1-(4-fluorophenyl)-3-(3-phenylmethoxypropylamino)-1-propyl-3H-2-benzofuran-5-carbonitrile Openeye Name: 3-(3-benzyloxypropylamino)-1-(4-fluorophenyl)-1-propyl-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-3-(3-phenylmethoxypropylamino)-1-propyl-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-3-(3-phenylmethoxypropylamino)-1-propyl-3H-2-benzofuran-5-carbonitrile Traditional Name: 3-(3-benzoxypropylamino)-1-(4-fluorophenyl)-1-propyl-phthalan-5-carbonitrile Formula: C28H29FN2O2 MolecularWeight: 444.540463

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(C2=C(C=C(C=C2)C#N)C(O1)NCCCOCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

CCCC1(C2=C(C=C(C=C2)C#N)C(O1)NCCCOCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C28H29FN2O2/c1-2-15-28(23-10-12-24(29)13-11-23)26-14-9-22(19-30)18-25(26)27(33-28)31-16-6-17-32-20-21-7-4-3-5-8-21/h3-5,7-14,18,27,31H,2,6,15-17,20H2,1H3