N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]adamantane-1-carboxamide

Systemtic Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]adamantane-1-carboxamide Openeye Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]adamantane-1-carboxamide CAS Name: N-[5-tert-butyl-2-(4-nitrophenyl)-3-pyrazolyl]-1-adamantanecarboxamide IUPAC Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]adamantane-1-carboxamide Traditional Name: N-[5-tert-butyl-2-(4-nitrophenyl)pyrazol-3-yl]adamantane-1-carboxamide Formula: C24H30N4O3 MolecularWeight: 422.52

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C24H30N4O3/c1-23(2,3)20-11-21(27(26-20)18-4-6-19(7-5-18)28(30)31)25-22(29)24-12-15-8-16(13-24)10-17(9-15)14-24/h4-7,11,15-17H,8-10,12-14H2,1-3H3,(H,25,29)