[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-methyl-1-piperidyl)methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-(4-methyl-1-piperidinyl)methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-(4-methylpiperidin-1-yl)methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-methylpiperidino)methanone Formula: C20H28N4O3 MolecularWeight: 372.46132

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1CCN(CC1)C(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H28N4O3/c1-13-2-4-22(5-3-13)19(25)18-17(24(26)27)12-23(21-18)20-9-14-6-15(10-20)8-16(7-14)11-20/h12-16H,2-11H2,1H3