1-(1-adamantyl)-4-nitro-N-[1-(phenylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-4-nitro-N-[1-(phenylmethyl)pyrazol-4-yl]pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-(1-benzylpyrazol-4-yl)-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-4-nitro-N-[1-(phenylmethyl)-4-pyrazolyl]-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-(1-benzylpyrazol-4-yl)-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-(1-benzylpyrazol-4-yl)-4-nitro-pyrazole-3-carboxamide Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CN(N=C5)CC6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NC5=CN(N=C5)CC6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O3/c31-23(26-20-12-25-28(14-20)13-16-4-2-1-3-5-16)22-21(30(32)33)15-29(27-22)24-9-17-6-18(10-24)8-19(7-17)11-24/h1-5,12,14-15,17-19H,6-11,13H2,(H,26,31)