N-(2,6-dimethylphenyl)-2-[4-[2-(methylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(methylamino)-5-nitro-phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(methylamino)-5-nitro-benzoyl]piperazin-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[[2-(methylamino)-5-nitrophenyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(methylamino)-5-nitrobenzoyl]piperazin-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(methylamino)-5-nitro-benzoyl]piperazino]acetamide Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N5O4/c1-15-5-4-6-16(2)21(15)24-20(28)14-25-9-11-26(12-10-25)22(29)18-13-17(27(30)31)7-8-19(18)23-3/h4-8,13,23H,9-12,14H2,1-3H3,(H,24,28)