(5-ethyl-1-phenyl-pyrazol-4-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone

Systemtic Name: (5-ethyl-1-phenyl-pyrazol-4-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Openeye Name: (5-ethyl-1-phenyl-pyrazol-4-yl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: (5-ethyl-1-phenyl-4-pyrazolyl)-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: (5-ethyl-1-phenylpyrazol-4-yl)-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (5-ethyl-1-phenyl-pyrazol-4-yl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C21H22N6O3 MolecularWeight: 406.43778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=NN1C2=CC=CC=C2)C(=O)N3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O3/c1-2-19-18(15-23-26(19)16-6-4-3-5-7-16)21(28)25-12-10-24(11-13-25)17-8-9-20(22-14-17)27(29)30/h3-9,14-15H,2,10-13H2,1H3