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

Systemtic Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-[3-(2-methylpropoxy)propyl]benzamide Openeye Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-isobutoxypropyl)benzamide CAS Name: 4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-N-[3-(2-methylpropoxy)propyl]benzamide IUPAC Name: 4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-N-[3-(2-methylpropoxy)propyl]benzamide Traditional Name: 4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-N-(3-isobutoxypropyl)benzamide Formula: C20H28N4O4 MolecularWeight: 388.46072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4/c1-14(2)13-28-11-5-10-21-20(25)18-8-6-17(7-9-18)12-23-16(4)19(24(26)27)15(3)22-23/h6-9,14H,5,10-13H2,1-4H3,(H,21,25)