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

Systemtic Name: 1-(1-adamantyl)-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[1-(1-ethyl-3-methyl-4-pyrazolyl)ethyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[1-(1-ethyl-3-methyl-pyrazol-4-yl)ethyl]-4-nitro-pyrazole-3-carboxamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)C(C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN1C=C(C(=N1)C)C(C)NC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N6O3/c1-4-26-11-18(14(3)24-26)13(2)23-21(29)20-19(28(30)31)12-27(25-20)22-8-15-5-16(9-22)7-17(6-15)10-22/h11-13,15-17H,4-10H2,1-3H3,(H,23,29)