N-tert-butyl-2-[5-(4-methylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]benzamide

Systemtic Name: N-tert-butyl-2-[5-(4-methylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]benzamide Openeye Name: N-tert-butyl-2-[2-(4-nitrophenyl)-5-(p-tolyl)pyrazol-3-yl]benzamide CAS Name: N-tert-butyl-2-[5-(4-methylphenyl)-2-(4-nitrophenyl)-3-pyrazolyl]benzamide IUPAC Name: N-tert-butyl-2-[5-(4-methylphenyl)-2-(4-nitrophenyl)pyrazol-3-yl]benzamide Traditional Name: N-tert-butyl-2-[2-(4-nitrophenyl)-5-(p-tolyl)pyrazol-3-yl]benzamide Formula: C27H26N4O3 MolecularWeight: 454.52034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)C3=CC=CC=C3C(=O)NC(C)(C)C)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)C3=CC=CC=C3C(=O)NC(C)(C)C)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O3/c1-18-9-11-19(12-10-18)24-17-25(30(29-24)20-13-15-21(16-14-20)31(33)34)22-7-5-6-8-23(22)26(32)28-27(2,3)4/h5-17H,1-4H3,(H,28,32)