2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethanone

Systemtic Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethanone Openeye Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethanone CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]ethanone Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-m-anisylpiperazino)ethanone Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4/c1-14-19(24(26)27)15(2)23(20-14)13-18(25)22-9-7-21(8-10-22)12-16-5-4-6-17(11-16)28-3/h4-6,11H,7-10,12-13H2,1-3H3