1-(1-adamantyl)-N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-[(4-bromo-1-pyrazolyl)methyl]phenyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-[(4-bromopyrazol-1-yl)methyl]phenyl]-4-nitro-pyrazole-3-carboxamide Formula: C24H25BrN6O3 MolecularWeight: 525.3977

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC(=C5)CN6C=C(C=N6)Br)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CC=CC(=C5)CN6C=C(C=N6)Br)[N+](=O)[O-]

InChI

InChI=1S/C24H25BrN6O3/c25-19-11-26-29(13-19)12-15-2-1-3-20(7-15)27-23(32)22-21(31(33)34)14-30(28-22)24-8-16-4-17(9-24)6-18(5-16)10-24/h1-3,7,11,13-14,16-18H,4-6,8-10,12H2,(H,27,32)