N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[5-tert-butyl-2-(phenylmethyl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-4-methyl-3-nitro-benzamide CAS Name: N-[5-tert-butyl-2-(phenylmethyl)-3-pyrazolyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-(2-benzyl-5-tert-butylpyrazol-3-yl)-4-methyl-3-nitrobenzamide Traditional Name: N-(2-benzyl-5-tert-butyl-pyrazol-3-yl)-4-methyl-3-nitro-benzamide Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC(=NN2CC3=CC=CC=C3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-15-10-11-17(12-18(15)26(28)29)21(27)23-20-13-19(22(2,3)4)24-25(20)14-16-8-6-5-7-9-16/h5-13H,14H2,1-4H3,(H,23,27)