3-(1-adamantyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(1-adamantyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(1-adamantyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(1-adamantyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(1-adamantyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(1-adamantyl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1-phenyl-pyrazole-4-carboxamide Formula: C33H29F3N4O4 MolecularWeight: 602.60297

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC(=CC(=C5)OC6=CC=CC(=C6)C(F)(F)F)[N+](=O)[O-])C7=CC=CC=C7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NN(C=C4C(=O)NC5=CC(=CC(=C5)OC6=CC=CC(=C6)C(F)(F)F)[N+](=O)[O-])C7=CC=CC=C7

InChI

InChI=1S/C33H29F3N4O4/c34-33(35,36)23-5-4-8-27(12-23)44-28-14-24(13-26(15-28)40(42)43)37-31(41)29-19-39(25-6-2-1-3-7-25)38-30(29)32-16-20-9-21(17-32)11-22(10-20)18-32/h1-8,12-15,19-22H,9-11,16-18H2,(H,37,41)