N-(1-adamantylmethyl)-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(1-adamantylmethyl)-1-[(5-fluoranyl-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Openeye Name: N-(1-adamantylmethyl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide CAS Name: N-(1-adamantylmethyl)-1-[(5-fluoro-2-nitrophenoxy)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(1-adamantylmethyl)-1-[(5-fluoro-2-nitrophenoxy)methyl]pyrazole-3-carboxamide Traditional Name: N-(1-adamantylmethyl)-1-[(5-fluoro-2-nitro-phenoxy)methyl]pyrazole-3-carboxamide Formula: C22H25FN4O4 MolecularWeight: 428.456703

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)COC5=C(C=CC(=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=NN(C=C4)COC5=C(C=CC(=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C22H25FN4O4/c23-17-1-2-19(27(29)30)20(8-17)31-13-26-4-3-18(25-26)21(28)24-12-22-9-14-5-15(10-22)7-16(6-14)11-22/h1-4,8,14-16H,5-7,9-13H2,(H,24,28)