1-(1-adamantyl)-N-(3-fluoranyl-4-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-(3-fluoranyl-4-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(3-fluoro-4-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-(3-fluoro-4-methylphenyl)-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(3-fluoro-4-methylphenyl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(3-fluoro-4-methyl-phenyl)-4-nitro-pyrazole-3-carboxamide Formula: C21H23FN4O3 MolecularWeight: 398.430723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)F

InChI

InChI=1S/C21H23FN4O3/c1-12-2-3-16(7-17(12)22)23-20(27)19-18(26(28)29)11-25(24-19)21-8-13-4-14(9-21)6-15(5-13)10-21/h2-3,7,11,13-15H,4-6,8-10H2,1H3,(H,23,27)