[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-[4-(2,4-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-[4-(2,4-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(2,4-dimethylphenyl)piperazino]methanone Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5)C

InChI

InChI=1S/C26H33N5O3/c1-17-3-4-22(18(2)9-17)28-5-7-29(8-6-28)25(32)24-23(31(33)34)16-30(27-24)26-13-19-10-20(14-26)12-21(11-19)15-26/h3-4,9,16,19-21H,5-8,10-15H2,1-2H3