1-[4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one

Systemtic Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one Openeye Name: 1-[4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-3-phenyl-propan-1-one CAS Name: 1-[4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-3-phenyl-1-propanone IUPAC Name: 1-[4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-1-one Traditional Name: 1-[4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-3-phenyl-propan-1-one Formula: C31H31FN4O MolecularWeight: 494.602443

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)CCC4=CC=CC=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)CCC4=CC=CC=C4)CC5=CC=CC=C5

InChI

InChI=1S/C31H31FN4O/c1-23-28(21-25-11-6-3-7-12-25)31(34-30(33-23)26-13-8-14-27(32)22-26)36-19-17-35(18-20-36)29(37)16-15-24-9-4-2-5-10-24/h2-14,22H,15-21H2,1H3