3-(4-bromanyl-5-methyl-pyrazol-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-bromanyl-5-methyl-pyrazol-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(4-bromo-5-methyl-pyrazol-1-yl)propan-1-one CAS Name: 3-(4-bromo-5-methyl-1-pyrazolyl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4-bromo-5-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(4-bromo-5-methyl-pyrazol-1-yl)propan-1-one Formula: C18H23BrN4O MolecularWeight: 391.30542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1CCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

Isomeric SMILES

CC1=C(C=NN1CCC(=O)N2CCN(CC2)CC3=CC=CC=C3)Br

InChI

InChI=1S/C18H23BrN4O/c1-15-17(19)13-20-23(15)8-7-18(24)22-11-9-21(10-12-22)14-16-5-3-2-4-6-16/h2-6,13H,7-12,14H2,1H3