tert-butyl N-[[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-(4-nitrophenyl)piperazin-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[4-(4-nitrophenyl)-1-piperazinyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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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=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5/c1-23(2,3)32-22(29)24-16-17-4-6-18(7-5-17)21(28)26-14-12-25(13-15-26)19-8-10-20(11-9-19)27(30)31/h4-11H,12-16H2,1-3H3,(H,24,29)