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

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-[4-(2-fluorophenyl)-1-piperazinyl]methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(2-fluorophenyl)piperazino]methanone Formula: C24H28FN5O3 MolecularWeight: 453.509223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C24H28FN5O3/c25-19-3-1-2-4-20(19)27-5-7-28(8-6-27)23(31)22-21(30(32)33)15-29(26-22)24-12-16-9-17(13-24)11-18(10-16)14-24/h1-4,15-18H,5-14H2