tert-butyl N-[(3-nitrophenyl)methyl]-N-[4-(phenylmethyl)piperazin-1-yl]carbamate

Systemtic Name: tert-butyl N-[(3-nitrophenyl)methyl]-N-[4-(phenylmethyl)piperazin-1-yl]carbamate Openeye Name: tert-butyl N-(4-benzylpiperazin-1-yl)-N-[(3-nitrophenyl)methyl]carbamate CAS Name: N-[(3-nitrophenyl)methyl]-N-[4-(phenylmethyl)-1-piperazinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(4-benzylpiperazin-1-yl)-N-[(3-nitrophenyl)methyl]carbamate Traditional Name: N-(4-benzylpiperazino)-N-(3-nitrobenzyl)carbamic acid tert-butyl ester Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CC1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N(CC1=CC(=CC=C1)[N+](=O)[O-])N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O4/c1-23(2,3)31-22(28)26(18-20-10-7-11-21(16-20)27(29)30)25-14-12-24(13-15-25)17-19-8-5-4-6-9-19/h4-11,16H,12-15,17-18H2,1-3H3