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

Systemtic Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-[4-[(3-methoxyphenyl)methyl]-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethyl-4-nitropyrazol-1-yl)-1-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-1-(4-m-anisylpiperazino)propan-1-one Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCC(=O)N2CCN(CC2)CC3=CC(=CC=C3)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C20H27N5O4/c1-15-20(25(27)28)16(2)24(21-15)8-7-19(26)23-11-9-22(10-12-23)14-17-5-4-6-18(13-17)29-3/h4-6,13H,7-12,14H2,1-3H3