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

Systemtic Name: cyclobutyl-[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]-cyclobutyl-methanone CAS Name: cyclobutyl-[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]-cyclobutylmethanone Traditional Name: [4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-cyclobutyl-methanone Formula: C27H29FN4O MolecularWeight: 444.543763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4CCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4CCC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H29FN4O/c1-19-24(17-20-7-3-2-4-8-20)26(30-25(29-19)22-11-6-12-23(28)18-22)31-13-15-32(16-14-31)27(33)21-9-5-10-21/h2-4,6-8,11-12,18,21H,5,9-10,13-17H2,1H3