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

Systemtic Name: cyclopropyl-[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]-cyclopropyl-methanone CAS Name: cyclopropyl-[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]-cyclopropylmethanone Traditional Name: [4-[5-benzyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-cyclopropyl-methanone Formula: C26H27FN4O MolecularWeight: 430.517183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC(=CC=C2)F)N3CCN(CC3)C(=O)C4CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H27FN4O/c1-18-23(16-19-6-3-2-4-7-19)25(29-24(28-18)21-8-5-9-22(27)17-21)30-12-14-31(15-13-30)26(32)20-10-11-20/h2-9,17,20H,10-16H2,1H3