(4-bromanylthiophen-2-yl)-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (4-bromanylthiophen-2-yl)-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (4-bromo-2-thienyl)-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (4-bromo-2-thiophenyl)-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-bromothiophen-2-yl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (4-bromo-2-thienyl)-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]methanone Formula: C16H21BrN4OS MolecularWeight: 397.33314

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CC(=CS3)Br

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CC(=CS3)Br

InChI

InChI=1S/C16H21BrN4OS/c1-3-21-10-13(12(2)18-21)9-19-4-6-20(7-5-19)16(22)15-8-14(17)11-23-15/h8,10-11H,3-7,9H2,1-2H3