[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(5-chloro-2-methyl-phenyl)piperazino]methanone Formula: C25H30ClN5O3 MolecularWeight: 483.9904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30ClN5O3/c1-16-2-3-20(26)11-21(16)28-4-6-29(7-5-28)24(32)23-22(31(33)34)15-30(27-23)25-12-17-8-18(13-25)10-19(9-17)14-25/h2-3,11,15,17-19H,4-10,12-14H2,1H3