N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]ethanamide Openeye Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide CAS Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-nitrophenyl)-1-piperazinyl]acetamide IUPAC Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-nitrophenyl)piperazin-1-yl]acetamide Traditional Name: N-[1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-nitrophenyl)piperazino]acetamide Formula: C22H28N4O3 MolecularWeight: 396.48272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O3/c1-16-8-9-19(14-17(16)2)18(3)23-22(27)15-24-10-12-25(13-11-24)20-6-4-5-7-21(20)26(28)29/h4-9,14,18H,10-13,15H2,1-3H3,(H,23,27)