[4-(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [4-(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylpiperazin-1-yl]-(3-nitrophenyl)methanone Openeye Name: [4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazin-1-yl]-(3-nitrophenyl)methanone CAS Name: [4-[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]-1-piperazinyl]-(3-nitrophenyl)methanone IUPAC Name: [4-(4-bromo-1-methylpyrazole-3-carbonyl)piperazin-1-yl]-(3-nitrophenyl)methanone Traditional Name: [4-(4-bromo-1-methyl-pyrazole-3-carbonyl)piperazino]-(3-nitrophenyl)methanone Formula: C16H16BrN5O4 MolecularWeight: 422.23334

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C16H16BrN5O4/c1-19-10-13(17)14(18-19)16(24)21-7-5-20(6-8-21)15(23)11-3-2-4-12(9-11)22(25)26/h2-4,9-10H,5-8H2,1H3