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

Systemtic Name: 1-(4-fluorophenyl)-3-(prop-2-enylamino)-1-propyl-3H-2-benzofuran-5-carbonitrile Openeye Name: 3-(allylamino)-1-(4-fluorophenyl)-1-propyl-3H-isobenzofuran-5-carbonitrile CAS Name: 1-(4-fluorophenyl)-3-(prop-2-enylamino)-1-propyl-3H-isobenzofuran-5-carbonitrile IUPAC Name: 1-(4-fluorophenyl)-3-(prop-2-enylamino)-1-propyl-3H-2-benzofuran-5-carbonitrile Traditional Name: 3-(allylamino)-1-(4-fluorophenyl)-1-propyl-phthalan-5-carbonitrile Formula: C21H21FN2O MolecularWeight: 336.402643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O/c1-3-11-21(16-6-8-17(22)9-7-16)19-10-5-15(14-23)13-18(19)20(25-21)24-12-4-2/h4-10,13,20,24H,2-3,11-12H2,1H3