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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C(C)CN3C=C(C=N3)Br

Isomeric SMILES

CC1=CC=CC=C1CN2CCN(CC2)C(=O)C(C)CN3C=C(C=N3)Br

InChI

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