4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-methylheptan-2-yl)benzamide

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(6-methylheptan-2-yl)benzamide Openeye Name: N-(1,5-dimethylhexyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-(6-methylheptan-2-yl)benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-(6-methylheptan-2-yl)benzamide Traditional Name: N-(1,5-dimethylhexyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C21H30N4O3 MolecularWeight: 386.4879

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-14(2)7-6-8-15(3)22-21(26)19-11-9-18(10-12-19)13-24-17(5)20(25(27)28)16(4)23-24/h9-12,14-15H,6-8,13H2,1-5H3,(H,22,26)