1-(1-adamantyl)-N-[3-(4-chloranylpyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-(4-chloranylpyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-(4-chloropyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(4-chloro-1-pyrazolyl)propyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-(4-chloropyrazol-1-yl)propyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-(4-chloropyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide Formula: C20H25ClN6O3 MolecularWeight: 432.9039

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCCCN5C=C(C=N5)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C=C(C(=N4)C(=O)NCCCN5C=C(C=N5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN6O3/c21-16-10-23-25(11-16)3-1-2-22-19(28)18-17(27(29)30)12-26(24-18)20-7-13-4-14(8-20)6-15(5-13)9-20/h10-15H,1-9H2,(H,22,28)