N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)ethanamide

Systemtic Name: N-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)ethanamide Openeye Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-(4-nitropyrazol-1-yl)acetamide CAS Name: N-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-2-(4-nitro-1-pyrazolyl)acetamide IUPAC Name: N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-nitropyrazol-1-yl)acetamide Traditional Name: N-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)-2-(4-nitropyrazol-1-yl)acetamide Formula: C17H18N6O3 MolecularWeight: 354.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)NC(=O)CN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H18N6O3/c1-12-17(13(2)22(20-12)9-14-6-4-3-5-7-14)19-16(24)11-21-10-15(8-18-21)23(25)26/h3-8,10H,9,11H2,1-2H3,(H,19,24)