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

Systemtic Name: (3,5-dinitrophenyl)-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone Openeye Name: (3,5-dinitrophenyl)-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazin-1-yl]methanone CAS Name: (3,5-dinitrophenyl)-[4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-1-piperazinyl]methanone IUPAC Name: (3,5-dinitrophenyl)-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone Traditional Name: (3,5-dinitrophenyl)-[4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]piperazino]methanone Formula: C18H22N6O5 MolecularWeight: 402.40448

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H22N6O5/c1-3-22-12-15(13(2)19-22)11-20-4-6-21(7-5-20)18(25)14-8-16(23(26)27)10-17(9-14)24(28)29/h8-10,12H,3-7,11H2,1-2H3