5-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1-piperazinyl]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(3-chlorobenzyl)-2-[4-(4-fluorophenyl)piperazino]-6-methyl-1H-pyrimidin-4-one Formula: C22H22ClFN4O MolecularWeight: 412.887683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=C(C=C3)F)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CCN(CC2)C3=CC=C(C=C3)F)CC4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H22ClFN4O/c1-15-20(14-16-3-2-4-17(23)13-16)21(29)26-22(25-15)28-11-9-27(10-12-28)19-7-5-18(24)6-8-19/h2-8,13H,9-12,14H2,1H3,(H,25,26,29)