3-(4-bromanylpyrazol-1-yl)-2-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-bromanylpyrazol-1-yl)-2-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(4-bromopyrazol-1-yl)-2-methyl-1-[4-(m-tolylmethyl)piperazin-1-yl]propan-1-one CAS Name: 3-(4-bromo-1-pyrazolyl)-2-methyl-1-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(4-bromopyrazol-1-yl)-2-methyl-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(4-bromopyrazol-1-yl)-2-methyl-1-[4-(3-methylbenzyl)piperazino]propan-1-one Formula: C19H25BrN4O MolecularWeight: 405.332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(C)CN3C=C(C=N3)Br

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C(C)CN3C=C(C=N3)Br

InChI

InChI=1S/C19H25BrN4O/c1-15-4-3-5-17(10-15)13-22-6-8-23(9-7-22)19(25)16(2)12-24-14-18(20)11-21-24/h3-5,10-11,14,16H,6-9,12-13H2,1-2H3