2-[4-[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]-N-ethyl-ethanamide

Systemtic Name: 2-[4-[4-(3,5-dimethylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazin-1-yl]-N-ethyl-ethanamide Openeye Name: 2-[4-[4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoyl]piperazin-1-yl]-N-ethyl-acetamide CAS Name: 2-[4-[[4-(3,5-dimethyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-1-piperazinyl]-N-ethylacetamide IUPAC Name: 2-[4-[4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoyl]piperazin-1-yl]-N-ethylacetamide Traditional Name: 2-[4-[4-(3,5-dimethylpiperidino)-3-nitro-benzoyl]piperazino]-N-ethyl-acetamide Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CC(CC(C3)C)C)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)N3CC(CC(C3)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H33N5O4/c1-4-23-21(28)15-24-7-9-25(10-8-24)22(29)18-5-6-19(20(12-18)27(30)31)26-13-16(2)11-17(3)14-26/h5-6,12,16-17H,4,7-11,13-15H2,1-3H3,(H,23,28)