tert-butyl 4-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(3-nitrophenyl)-1-piperazinyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(3-nitrophenyl)piperazin-1-yl]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(3-nitrophenyl)piperazino]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H32N4O4 MolecularWeight: 404.50318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CN2CCN(CC2)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O4/c1-21(2,3)29-20(26)24-9-7-17(8-10-24)16-22-11-13-23(14-12-22)18-5-4-6-19(15-18)25(27)28/h4-6,15,17H,7-14,16H2,1-3H3