3-(4-nitropyrazol-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-(4-nitropyrazol-1-yl)-1-[4-(phenylmethyl)piperazin-1-yl]propan-1-one Openeye Name: 1-(4-benzylpiperazin-1-yl)-3-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 3-(4-nitro-1-pyrazolyl)-1-[4-(phenylmethyl)-1-piperazinyl]-1-propanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-3-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-(4-benzylpiperazino)-3-(4-nitropyrazol-1-yl)propan-1-one Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)CCN3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3/c23-17(6-7-21-14-16(12-18-21)22(24)25)20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-5,12,14H,6-11,13H2