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

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-[4-(2-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(2-methoxyphenyl)piperazino]methanone Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H31N5O4/c1-34-22-5-3-2-4-20(22)27-6-8-28(9-7-27)24(31)23-21(30(32)33)16-29(26-23)25-13-17-10-18(14-25)12-19(11-17)15-25/h2-5,16-19H,6-15H2,1H3