2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanone CAS Name: 2-[3-(4-nitro-1-pyrazolyl)-1-adamantyl]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[3-(4-nitropyrazol-1-yl)-1-adamantyl]ethanone Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C=N6)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CC34CC5CC(C3)CC(C5)(C4)N6C=C(C=N6)[N+](=O)[O-]

InChI

InChI=1S/C26H33N5O3/c32-24(29-8-6-28(7-9-29)17-20-4-2-1-3-5-20)15-25-11-21-10-22(12-25)14-26(13-21,19-25)30-18-23(16-27-30)31(33)34/h1-5,16,18,21-22H,6-15,17,19H2