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

Systemtic Name: tert-butyl N-[1-oxidanylidene-3-(4-phenylmethoxyphenyl)-1-piperazin-1-yl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(4-benzyloxyphenyl)methyl]-2-oxo-2-piperazin-1-yl-ethyl]carbamate CAS Name: N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-(1-piperazinyl)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-oxo-3-(4-phenylmethoxyphenyl)-1-piperazin-1-ylpropan-2-yl]carbamate Traditional Name: N-[1-(4-benzoxybenzyl)-2-keto-2-piperazino-ethyl]carbamic acid tert-butyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCNCC3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCC2=CC=CC=C2)C(=O)N3CCNCC3

InChI

InChI=1S/C25H33N3O4/c1-25(2,3)32-24(30)27-22(23(29)28-15-13-26-14-16-28)17-19-9-11-21(12-10-19)31-18-20-7-5-4-6-8-20/h4-12,22,26H,13-18H2,1-3H3,(H,27,30)