1-[3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-yl]-3-methyl-pentane-1,2-dione

Systemtic Name: 1-[3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidin-1-yl]-3-methyl-pentane-1,2-dione Openeye Name: 1-[3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]-1-piperidyl]-3-methyl-pentane-1,2-dione CAS Name: 1-[3-[5-(4-fluorophenyl)-2-methyl-4-pyrimidinyl]-1-piperidinyl]-3-methylpentane-1,2-dione IUPAC Name: 1-[3-[5-(4-fluorophenyl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-3-methylpentane-1,2-dione Traditional Name: 1-[3-[5-(4-fluorophenyl)-2-methyl-pyrimidin-4-yl]piperidino]-3-methyl-pentane-1,2-dione Formula: C22H26FN3O2 MolecularWeight: 383.459143

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)C(=O)N1CCCC(C1)C2=NC(=NC=C2C3=CC=C(C=C3)F)C

Isomeric SMILES

CCC(C)C(=O)C(=O)N1CCCC(C1)C2=NC(=NC=C2C3=CC=C(C=C3)F)C

InChI

InChI=1S/C22H26FN3O2/c1-4-14(2)21(27)22(28)26-11-5-6-17(13-26)20-19(12-24-15(3)25-20)16-7-9-18(23)10-8-16/h7-10,12,14,17H,4-6,11,13H2,1-3H3