1-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[(4-fluorophenyl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(4-fluorobenzyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCC5=CC=C(C=C5)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCC5=CC=C(C=C5)F)[N+](=O)[O-]

InChI

InChI=1S/C21H23FN4O3/c22-17-3-1-13(2-4-17)11-23-20(27)19-18(26(28)29)12-25(24-19)21-8-14-5-15(9-21)7-16(6-14)10-21/h1-4,12,14-16H,5-11H2,(H,23,27)