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

Systemtic Name: 1-(1-adamantyl)-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[(2-methyl-3-pyrazolyl)methyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[(2-methylpyrazol-3-yl)methyl]-4-nitro-pyrazole-3-carboxamide Formula: C19H24N6O3 MolecularWeight: 384.43226

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=CC=N1)CNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H24N6O3/c1-23-15(2-3-21-23)10-20-18(26)17-16(25(27)28)11-24(22-17)19-7-12-4-13(8-19)6-14(5-12)9-19/h2-3,11-14H,4-10H2,1H3,(H,20,26)