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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)CC3=CC=CO3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)CC3=CC=CO3)C)[N+](=O)[O-]

InChI

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