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

Systemtic Name: N-(4-tert-butylphenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Openeye Name: N-(4-tert-butylphenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide CAS Name: N-(4-tert-butylphenyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]benzamide IUPAC Name: N-(4-tert-butylphenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide Traditional Name: N-(4-tert-butylphenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]benzamide Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H26N4O3/c1-15-21(27(29)30)16(2)26(25-15)14-17-6-8-18(9-7-17)22(28)24-20-12-10-19(11-13-20)23(3,4)5/h6-13H,14H2,1-5H3,(H,24,28)