[1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [1-(4-bromophenyl)-5-methyl-4-pyrazolyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [1-(4-bromophenyl)-5-methylpyrazol-4-yl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [1-(4-bromophenyl)-5-methyl-pyrazol-4-yl]-[4-(4-pyridylmethyl)piperazino]methanone Formula: C21H22BrN5O MolecularWeight: 440.33628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=NC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)Br)C(=O)N3CCN(CC3)CC4=CC=NC=C4

InChI

InChI=1S/C21H22BrN5O/c1-16-20(14-24-27(16)19-4-2-18(22)3-5-19)21(28)26-12-10-25(11-13-26)15-17-6-8-23-9-7-17/h2-9,14H,10-13,15H2,1H3