tert-butyl N-iodanyloxycarbonyl-N-[[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-iodanyloxycarbonyl-N-[[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methyl]carbamate Openeye Name: iodo N-tert-butoxycarbonyl-N-[[4-[2-[4-(4-pyridyl)piperazin-1-yl]ethyl]phenyl]methyl]carbamate CAS Name: N-[iodooxy(oxo)methyl]-N-[[4-[2-(4-pyridin-4-yl-1-piperazinyl)ethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-iodooxycarbonyl-N-[[4-[2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methyl]carbamate Traditional Name: N-tert-butoxycarbonyl-N-[4-[2-[4-(4-pyridyl)piperazino]ethyl]benzyl]carbamic acid iodo ester Formula: C24H31IN4O4 MolecularWeight: 566.43181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)CCN2CCN(CC2)C3=CC=NC=C3)C(=O)OI

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC=C(C=C1)CCN2CCN(CC2)C3=CC=NC=C3)C(=O)OI

InChI

InChI=1S/C24H31IN4O4/c1-24(2,3)32-22(30)29(23(31)33-25)18-20-6-4-19(5-7-20)10-13-27-14-16-28(17-15-27)21-8-11-26-12-9-21/h4-9,11-12H,10,13-18H2,1-3H3