1-[5-(4-fluorophenyl)carbonyl-1-methyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 1-[5-(4-fluorophenyl)carbonyl-1-methyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 1-[5-(4-fluorobenzoyl)-1-methyl-pyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 1-[5-[(4-fluorophenyl)-oxomethyl]-1-methyl-3-pyrrolyl]-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 1-[5-(4-fluorobenzoyl)-1-methylpyrrol-3-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 1-[5-(4-fluorobenzoyl)-1-methyl-pyrrol-3-yl]-2-[4-(2-pyrimidyl)piperazino]ethanone Formula: C22H22FN5O2 MolecularWeight: 407.440783

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)F)C(=O)CN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CN1C=C(C=C1C(=O)C2=CC=C(C=C2)F)C(=O)CN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C22H22FN5O2/c1-26-14-17(13-19(26)21(30)16-3-5-18(23)6-4-16)20(29)15-27-9-11-28(12-10-27)22-24-7-2-8-25-22/h2-8,13-14H,9-12,15H2,1H3