(3,5-dinitrophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone

Systemtic Name: (3,5-dinitrophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-[(1-methyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-[(1-methylpyrazol-4-yl)methyl]piperazino]methanone Formula: C16H18N6O5 MolecularWeight: 374.35132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N6O5/c1-18-10-12(9-17-18)11-19-2-4-20(5-3-19)16(23)13-6-14(21(24)25)8-15(7-13)22(26)27/h6-10H,2-5,11H2,1H3