[3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone

Systemtic Name: [3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone Openeye Name: [3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]phenyl]-[(2R)-2-methyl-1-piperidyl]methanone CAS Name: [3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]phenyl]-[(2R)-2-methyl-1-piperidinyl]methanone IUPAC Name: [3-[(4-bromo-3-nitropyrazol-1-yl)methyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone Traditional Name: [3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]phenyl]-[(2R)-2-methylpiperidino]methanone Formula: C17H19BrN4O3 MolecularWeight: 407.26176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C[C@@H]1CCCCN1C(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C17H19BrN4O3/c1-12-5-2-3-8-21(12)17(23)14-7-4-6-13(9-14)10-20-11-15(18)16(19-20)22(24)25/h4,6-7,9,11-12H,2-3,5,8,10H2,1H3/t12-/m1/s1