N-(2,3-dimethylphenyl)-2-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(3-methyl-2-nitro-phenyl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(3-methyl-2-nitro-benzoyl)piperazin-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(3-methyl-2-nitrophenyl)-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(3-methyl-2-nitrobenzoyl)piperazin-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(3-methyl-2-nitro-benzoyl)piperazino]acetamide Formula: C22H26N4O4 MolecularWeight: 410.46624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O4/c1-15-6-5-9-19(17(15)3)23-20(27)14-24-10-12-25(13-11-24)22(28)18-8-4-7-16(2)21(18)26(29)30/h4-9H,10-14H2,1-3H3,(H,23,27)