3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-cycloheptyl-benzamide

Systemtic Name: 3-[(4-bromanyl-3-nitro-pyrazol-1-yl)methyl]-N-cycloheptyl-benzamide Openeye Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-cycloheptyl-benzamide CAS Name: 3-[(4-bromo-3-nitro-1-pyrazolyl)methyl]-N-cycloheptylbenzamide IUPAC Name: 3-[(4-bromo-3-nitropyrazol-1-yl)methyl]-N-cycloheptylbenzamide Traditional Name: 3-[(4-bromo-3-nitro-pyrazol-1-yl)methyl]-N-cycloheptyl-benzamide Formula: C18H21BrN4O3 MolecularWeight: 421.28834

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

Isomeric SMILES

C1CCCC(CC1)NC(=O)C2=CC(=CC=C2)CN3C=C(C(=N3)[N+](=O)[O-])Br

InChI

InChI=1S/C18H21BrN4O3/c19-16-12-22(21-17(16)23(25)26)11-13-6-5-7-14(10-13)18(24)20-15-8-3-1-2-4-9-15/h5-7,10,12,15H,1-4,8-9,11H2,(H,20,24)