N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(4-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-[4-(4-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-[4-(4-nitrophenyl)piperazino]acetamide Formula: C21H23N5O5 MolecularWeight: 425.43782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=O)CN2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H23N5O5/c1-30-19-11-15(13-22)18(12-20(19)31-2)23-21(27)14-24-7-9-25(10-8-24)16-3-5-17(6-4-16)26(28)29/h3-6,11-12H,7-10,14H2,1-2H3,(H,23,27)