1-(1-adamantyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide

Systemtic Name: 1-(1-adamantyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide Openeye Name: 1-(1-adamantyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide CAS Name: 1-(1-adamantyl)-N-[3-(3,5-dimethyl-1-pyrazolyl)propyl]-4-nitro-3-pyrazolecarboxamide IUPAC Name: 1-(1-adamantyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitropyrazole-3-carboxamide Traditional Name: 1-(1-adamantyl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-nitro-pyrazole-3-carboxamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=NN1CCCNC(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C22H30N6O3/c1-14-6-15(2)26(24-14)5-3-4-23-21(29)20-19(28(30)31)13-27(25-20)22-10-16-7-17(11-22)9-18(8-16)12-22/h6,13,16-18H,3-5,7-12H2,1-2H3,(H,23,29)