N-(2,6-diethylphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(6-nitro-3-pyridyl)piperazino]acetamide Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O3/c1-3-16-6-5-7-17(4-2)21(16)23-20(27)15-24-10-12-25(13-11-24)18-8-9-19(22-14-18)26(28)29/h5-9,14H,3-4,10-13,15H2,1-2H3,(H,23,27)