2-(2,4-dimethylphenyl)-4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,3-oxazole

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,3-oxazole Openeye Name: 2-(2,4-dimethylphenyl)-4-[[4-(6-nitro-3-pyridyl)piperazin-1-yl]methyl]oxazole CAS Name: 2-(2,4-dimethylphenyl)-4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]methyl]oxazole IUPAC Name: 2-(2,4-dimethylphenyl)-4-[[4-(6-nitropyridin-3-yl)piperazin-1-yl]methyl]-1,3-oxazole Traditional Name: 2-(2,4-dimethylphenyl)-4-[[4-(6-nitro-3-pyridyl)piperazino]methyl]oxazole Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)CN3CCN(CC3)C4=CN=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C21H23N5O3/c1-15-3-5-19(16(2)11-15)21-23-17(14-29-21)13-24-7-9-25(10-8-24)18-4-6-20(22-12-18)26(27)28/h3-6,11-12,14H,7-10,13H2,1-2H3