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

Systemtic Name: cyclohexyl-[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]-cyclohexyl-methanone CAS Name: cyclohexyl-[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]-cyclohexylmethanone Traditional Name: [4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-cyclohexyl-methanone Formula: C29H33FN4O MolecularWeight: 472.596923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4CCCCC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4CCCCC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33FN4O/c1-21-26(19-22-9-4-2-5-10-22)28(32-27(31-21)24-13-8-14-25(30)20-24)33-15-17-34(18-16-33)29(35)23-11-6-3-7-12-23/h2,4-5,8-10,13-14,20,23H,3,6-7,11-12,15-19H2,1H3