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

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-[4-(6-nitro-3-pyridyl)piperazin-1-yl]acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-[4-(6-nitropyridin-3-yl)piperazin-1-yl]acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[4-(6-nitro-3-pyridyl)piperazino]acetamide Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)CN2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H27N5O5/c1-3-30-18-7-5-16(13-19(18)31-4-2)23-21(27)15-24-9-11-25(12-10-24)17-6-8-20(22-14-17)26(28)29/h5-8,13-14H,3-4,9-12,15H2,1-2H3,(H,23,27)