1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one

Systemtic Name: 1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one Openeye Name: 1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propan-1-one CAS Name: 1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-3-[3,5-dimethyl-1-(2-methylpropyl)-4-pyrazolyl]-1-propanone IUPAC Name: 1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one Traditional Name: 1-[4-(5-bromo-2-pyridyl)piperazino]-3-(1-isobutyl-3,5-dimethyl-pyrazol-4-yl)propan-1-one Formula: C21H30BrN5O MolecularWeight: 448.3998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

Isomeric SMILES

CC1=C(C(=NN1CC(C)C)C)CCC(=O)N2CCN(CC2)C3=NC=C(C=C3)Br

InChI

InChI=1S/C21H30BrN5O/c1-15(2)14-27-17(4)19(16(3)24-27)6-8-21(28)26-11-9-25(10-12-26)20-7-5-18(22)13-23-20/h5,7,13,15H,6,8-12,14H2,1-4H3