cyclopentyl-[4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Systemtic Name: cyclopentyl-[4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]methanone Openeye Name: [4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-cyclopentyl-methanone CAS Name: cyclopentyl-[4-[2-(3-fluorophenyl)-6-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]methanone IUPAC Name: [4-[5-benzyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-cyclopentylmethanone Traditional Name: [4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-cyclopentyl-methanone Formula: C28H31FN4O MolecularWeight: 458.570343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4CCCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4CCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C28H31FN4O/c1-20-25(18-21-8-3-2-4-9-21)27(31-26(30-20)23-12-7-13-24(29)19-23)32-14-16-33(17-15-32)28(34)22-10-5-6-11-22/h2-4,7-9,12-13,19,22H,5-6,10-11,14-18H2,1H3