tert-butyl N-[3-(4-nitrophenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(4-nitrophenyl)-1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(4-nitrophenyl)methyl]-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]carbamate CAS Name: N-[3-(4-nitrophenyl)-1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-nitrophenyl)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]carbamate Traditional Name: N-[2-keto-1-(4-nitrobenzyl)-2-(4-phenylpiperazino)ethyl]carbamic acid tert-butyl ester Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C24H30N4O5/c1-24(2,3)33-23(30)25-21(17-18-9-11-20(12-10-18)28(31)32)22(29)27-15-13-26(14-16-27)19-7-5-4-6-8-19/h4-12,21H,13-17H2,1-3H3,(H,25,30)