[4-(6-nitropyridin-3-yl)piperazin-1-yl]-[2-oxidanyl-3,5-di(propan-2-yl)phenyl]methanone

Systemtic Name: [4-(6-nitropyridin-3-yl)piperazin-1-yl]-[2-oxidanyl-3,5-di(propan-2-yl)phenyl]methanone Openeye Name: (2-hydroxy-3,5-diisopropyl-phenyl)-[4-(6-nitro-3-pyridyl)piperazin-1-yl]methanone CAS Name: [2-hydroxy-3,5-di(propan-2-yl)phenyl]-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [2-hydroxy-3,5-di(propan-2-yl)phenyl]-[4-(6-nitropyridin-3-yl)piperazin-1-yl]methanone Traditional Name: (2-hydroxy-3,5-diisopropyl-phenyl)-[4-(6-nitro-3-pyridyl)piperazino]methanone Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])O)C(C)C

InChI

InChI=1S/C22H28N4O4/c1-14(2)16-11-18(15(3)4)21(27)19(12-16)22(28)25-9-7-24(8-10-25)17-5-6-20(23-13-17)26(29)30/h5-6,11-15,27H,7-10H2,1-4H3