tert-butyl 4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-methyl-1-piperidyl)-3-nitro-benzoyl]piperazine-1-carboxylate CAS Name: 4-[[4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-methylpiperidin-1-yl)-3-nitrobenzoyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-methylpiperidino)-3-nitro-benzoyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C22H32N4O5 MolecularWeight: 432.51328

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H32N4O5/c1-16-6-5-9-25(15-16)18-8-7-17(14-19(18)26(29)30)20(27)23-10-12-24(13-11-23)21(28)31-22(2,3)4/h7-8,14,16H,5-6,9-13,15H2,1-4H3