tert-butyl carbamate; N-[(4-methylphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: tert-butyl carbamate; N-[(4-methylphenyl)methyl]piperazine-1-carboxamide Openeye Name: tert-butyl carbamate; N-(p-tolylmethyl)piperazine-1-carboxamide CAS Name: carbamic acid tert-butyl ester; N-[(4-methylphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: tert-butyl carbamate; N-[(4-methylphenyl)methyl]piperazine-1-carboxamide Traditional Name: carbamic acid tert-butyl ester; N-(4-methylbenzyl)piperazine-1-carboxamide Formula: C18H30N4O3 MolecularWeight: 350.4558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CCNCC2.CC(C)(C)OC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CCNCC2.CC(C)(C)OC(=O)N

InChI

InChI=1S/C13H19N3O.C5H11NO2/c1-11-2-4-12(5-3-11)10-15-13(17)16-8-6-14-7-9-16;1-5(2,3)8-4(6)7/h2-5,14H,6-10H2,1H3,(H,15,17);1-3H3,(H2,6,7)