4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-5-(4-fluorophenyl)-2-methyl-pyrimidine

Systemtic Name: 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-5-(4-fluorophenyl)-2-methyl-pyrimidine Openeye Name: 4-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidyl]-5-(4-fluorophenyl)-2-methyl-pyrimidine CAS Name: 4-[1-(2,3-dihydrobenzofuran-5-ylmethyl)-3-piperidinyl]-5-(4-fluorophenyl)-2-methylpyrimidine IUPAC Name: 4-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-3-yl]-5-(4-fluorophenyl)-2-methylpyrimidine Traditional Name: 4-[1-(coumaran-5-ylmethyl)-3-piperidyl]-5-(4-fluorophenyl)-2-methyl-pyrimidine Formula: C25H26FN3O MolecularWeight: 403.491843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)CC3=CC4=C(C=C3)OCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)CC3=CC4=C(C=C3)OCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C25H26FN3O/c1-17-27-14-23(19-5-7-22(26)8-6-19)25(28-17)21-3-2-11-29(16-21)15-18-4-9-24-20(13-18)10-12-30-24/h4-9,13-14,21H,2-3,10-12,15-16H2,1H3