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

Systemtic Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-benzylpiperazin-1-yl)methanone CAS Name: [1-(1-adamantyl)-4-nitro-3-pyrazolyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: [1-(1-adamantyl)-4-nitropyrazol-3-yl]-(4-benzylpiperazin-1-yl)methanone Traditional Name: [1-(1-adamantyl)-4-nitro-pyrazol-3-yl]-(4-benzylpiperazino)methanone Formula: C25H31N5O3 MolecularWeight: 449.54534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H31N5O3/c31-24(28-8-6-27(7-9-28)16-18-4-2-1-3-5-18)23-22(30(32)33)17-29(26-23)25-13-19-10-20(14-25)12-21(11-19)15-25/h1-5,17,19-21H,6-16H2