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

Systemtic Name: 1-(1-adamantyl)-N-[4-chloranyl-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]-3-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-chloro-1-(3-fluorobenzyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C24H24ClFN6O3 MolecularWeight: 498.937163

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5Cl)CC6=CC(=CC=C6)F)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5Cl)CC6=CC(=CC=C6)F)[N+](=O)[O-]

InChI

InChI=1S/C24H24ClFN6O3/c25-19-12-30(11-14-2-1-3-18(26)7-14)29-22(19)27-23(33)21-20(32(34)35)13-31(28-21)24-8-15-4-16(9-24)6-17(5-15)10-24/h1-3,7,12-13,15-17H,4-6,8-11H2,(H,27,29,33)