1-(1-adamantyl)-N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]-4-nitro-pyrazole-3-carboxamide Formula: C24H24BrClN6O3 MolecularWeight: 559.84276

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5Br)CC6=CC=CC=C6Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=NN(C=C5Br)CC6=CC=CC=C6Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H24BrClN6O3/c25-18-12-30(11-17-3-1-2-4-19(17)26)29-22(18)27-23(33)21-20(32(34)35)13-31(28-21)24-8-14-5-15(9-24)7-16(6-14)10-24/h1-4,12-16H,5-11H2,(H,27,29,33)