1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one

Systemtic Name: 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one Openeye Name: 1-[4-(2-furylmethyl)piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one CAS Name: 1-[4-(2-furanylmethyl)-1-piperazinyl]-2-methyl-3-(5-methyl-3-nitro-1-pyrazolyl)-1-propanone IUPAC Name: 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-methyl-3-(5-methyl-3-nitropyrazol-1-yl)propan-1-one Traditional Name: 1-[4-(2-furfuryl)piperazino]-2-methyl-3-(5-methyl-3-nitro-pyrazol-1-yl)propan-1-one Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)CC3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NN1CC(C)C(=O)N2CCN(CC2)CC3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C17H23N5O4/c1-13(11-21-14(2)10-16(18-21)22(24)25)17(23)20-7-5-19(6-8-20)12-15-4-3-9-26-15/h3-4,9-10,13H,5-8,11-12H2,1-2H3