3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N,N-dihexyl-benzamide

Systemtic Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N,N-dihexyl-benzamide Openeye Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N,N-dihexyl-benzamide CAS Name: 3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N,N-dihexylbenzamide IUPAC Name: 3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N,N-dihexylbenzamide Traditional Name: 3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N,N-dihexyl-benzamide Formula: C25H38N4O3 MolecularWeight: 442.59422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)C1=CC(=CC=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)C1=CC(=CC=C1)CN2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C25H38N4O3/c1-5-7-9-11-16-27(17-12-10-8-6-2)25(30)23-15-13-14-22(18-23)19-28-21(4)24(29(31)32)20(3)26-28/h13-15,18H,5-12,16-17,19H2,1-4H3