2-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)ethanamide Openeye Name: 2-[4-(2-cyano-4-nitro-phenyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide CAS Name: 2-[4-(2-cyano-4-nitrophenyl)-1-piperazinyl]-N-(2,6-dimethylphenyl)acetamide IUPAC Name: 2-[4-(2-cyano-4-nitrophenyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-cyano-4-nitro-phenyl)piperazino]-N-(2,6-dimethylphenyl)acetamide Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

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