4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(5-methylhexan-2-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(5-methylhexan-2-yl)benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1,4-dimethylpentyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(5-methylhexan-2-yl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(5-methylhexan-2-yl)benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(1,4-dimethylpentyl)benzamide Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C)CCC(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC(C)CCC(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O3/c1-13(2)6-7-14(3)21-20(25)18-10-8-17(9-11-18)12-23-16(5)19(24(26)27)15(4)22-23/h8-11,13-14H,6-7,12H2,1-5H3,(H,21,25)