1-[2-(3-bromophenyl)-7-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone

Systemtic Name: 1-[2-(3-bromophenyl)-7-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone Openeye Name: 1-[2-(3-bromophenyl)-7-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone CAS Name: 1-[2-(3-bromophenyl)-7-methyl-3-phenyl-6-pyrazolo[1,5-a]pyrimidinyl]ethanone IUPAC Name: 1-[2-(3-bromophenyl)-7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone Traditional Name: 1-[2-(3-bromophenyl)-7-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-6-yl]ethanone Formula: C21H16BrN3O MolecularWeight: 406.27524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NC2=C(C(=NN12)C3=CC(=CC=C3)Br)C4=CC=CC=C4)C(=O)C

Isomeric SMILES

CC1=C(C=NC2=C(C(=NN12)C3=CC(=CC=C3)Br)C4=CC=CC=C4)C(=O)C

InChI

InChI=1S/C21H16BrN3O/c1-13-18(14(2)26)12-23-21-19(15-7-4-3-5-8-15)20(24-25(13)21)16-9-6-10-17(22)11-16/h3-12H,1-2H3