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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O4/c1-3-15(21-13(2)11-16(18-21)22(24)25)17(23)20-8-6-19(7-9-20)12-14-5-4-10-26-14/h4-5,10-11,15H,3,6-9,12H2,1-2H3