3-[[3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-yl]methyl]chromen-4-one

Systemtic Name: 3-[[3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-yl]methyl]chromen-4-one Openeye Name: 3-[[3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]-1-piperidyl]methyl]chromen-4-one CAS Name: 3-[[3-[5-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-piperidinyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-[[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]methyl]chromen-4-one Traditional Name: 3-[[3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidino]methyl]chromone Formula: C26H24FN3O2 MolecularWeight: 429.486063

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=N1)C2CCCN(C2)CC3=COC4=CC=CC=C4C3=O)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=NC=C(C(=N1)C2CCCN(C2)CC3=COC4=CC=CC=C4C3=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24FN3O2/c1-17-28-13-23(18-8-10-21(27)11-9-18)25(29-17)19-5-4-12-30(14-19)15-20-16-32-24-7-3-2-6-22(24)26(20)31/h2-3,6-11,13,16,19H,4-5,12,14-15H2,1H3