1-[3-(6-fluoranylpyridin-3-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl]piperazine

Systemtic Name: 1-[3-(6-fluoranylpyridin-3-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl]piperazine Openeye Name: 1-[3-(6-fluoro-3-pyridyl)-2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl]piperazine CAS Name: 1-[3-(6-fluoro-3-pyridinyl)-2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl]piperazine IUPAC Name: 1-[3-(6-fluoropyridin-3-yl)-2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl]piperazine Traditional Name: 1-[3-(6-fluoro-3-pyridyl)-2,2,4,6,7-pentamethyl-coumaran-5-yl]piperazine Formula: C22H28FN3O MolecularWeight: 369.475623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(C(OC2=C1C)(C)C)C3=CN=C(C=C3)F)C)N4CCNCC4

Isomeric SMILES

CC1=C(C(=C2C(C(OC2=C1C)(C)C)C3=CN=C(C=C3)F)C)N4CCNCC4

InChI

InChI=1S/C22H28FN3O/c1-13-14(2)21-18(15(3)20(13)26-10-8-24-9-11-26)19(22(4,5)27-21)16-6-7-17(23)25-12-16/h6-7,12,19,24H,8-11H2,1-5H3