[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone

Systemtic Name: [4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone Openeye Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[5-ethyl-1-(p-tolyl)pyrazol-4-yl]methanone CAS Name: [4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]-[5-ethyl-1-(4-methylphenyl)-4-pyrazolyl]methanone IUPAC Name: [4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-[5-ethyl-1-(4-methylphenyl)pyrazol-4-yl]methanone Traditional Name: [4-(5-bromopyrimidin-2-yl)piperazino]-[5-ethyl-1-(p-tolyl)pyrazol-4-yl]methanone Formula: C21H23BrN6O MolecularWeight: 455.35092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br

Isomeric SMILES

CCC1=C(C=NN1C2=CC=C(C=C2)C)C(=O)N3CCN(CC3)C4=NC=C(C=N4)Br

InChI

InChI=1S/C21H23BrN6O/c1-3-19-18(14-25-28(19)17-6-4-15(2)5-7-17)20(29)26-8-10-27(11-9-26)21-23-12-16(22)13-24-21/h4-7,12-14H,3,8-11H2,1-2H3