tert-butyl N-[[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C22H27N5O5 MolecularWeight: 441.48028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CN=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O5/c1-22(2,3)32-21(29)24-14-16-4-6-17(7-5-16)20(28)26-12-10-25(11-13-26)18-8-9-19(23-15-18)27(30)31/h4-9,15H,10-14H2,1-3H3,(H,24,29)