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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(3-nitrophenyl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(3-nitrophenyl)-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(3-nitrobenzoyl)piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(3-nitrobenzoyl)piperazino]acetamide Formula: C21H24N4O4 MolecularWeight: 396.43966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-15-5-3-8-19(16(15)2)22-20(26)14-23-9-11-24(12-10-23)21(27)17-6-4-7-18(13-17)25(28)29/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)