1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-methyl-2-(4-nitropyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-methyl-2-(4-nitropyrazol-1-yl)propan-1-one Openeye Name: 1-[4-(2-furylmethyl)piperazin-1-yl]-2-methyl-2-(4-nitropyrazol-1-yl)propan-1-one CAS Name: 1-[4-(2-furanylmethyl)-1-piperazinyl]-2-methyl-2-(4-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-methyl-2-(4-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-furfuryl)piperazino]-2-methyl-2-(4-nitropyrazol-1-yl)propan-1-one Formula: C16H21N5O4 MolecularWeight: 347.36904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)N1CCN(CC1)CC2=CC=CO2)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)N1CCN(CC1)CC2=CC=CO2)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H21N5O4/c1-16(2,20-11-13(10-17-20)21(23)24)15(22)19-7-5-18(6-8-19)12-14-4-3-9-25-14/h3-4,9-11H,5-8,12H2,1-2H3