3-[4-(3-bromophenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one

Systemtic Name: 3-[4-(3-bromophenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one Openeye Name: 3-[4-(3-bromophenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-yl-pyrazol-4-yl)propan-1-one CAS Name: 3-[4-(3-bromophenyl)-1-piperazinyl]-1-[5-methyl-1-(2-pyrimidinyl)-4-pyrazolyl]-1-propanone IUPAC Name: 3-[4-(3-bromophenyl)piperazin-1-yl]-1-(5-methyl-1-pyrimidin-2-ylpyrazol-4-yl)propan-1-one Traditional Name: 3-[4-(3-bromophenyl)piperazino]-1-[5-methyl-1-(2-pyrimidyl)pyrazol-4-yl]propan-1-one Formula: C21H23BrN6O MolecularWeight: 455.35092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC=N2)C(=O)CCN3CCN(CC3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C21H23BrN6O/c1-16-19(15-25-28(16)21-23-7-3-8-24-21)20(29)6-9-26-10-12-27(13-11-26)18-5-2-4-17(22)14-18/h2-5,7-8,14-15H,6,9-13H2,1H3