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

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-methylpiperazino)methanone Formula: C19H27N5O3 MolecularWeight: 373.44938

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=NN(C=C2[N+](=O)[O-])C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C19H27N5O3/c1-21-2-4-22(5-3-21)18(25)17-16(24(26)27)12-23(20-17)19-9-13-6-14(10-19)8-15(7-13)11-19/h12-15H,2-11H2,1H3