tert-butyl carbamate; N-[(3-methylphenyl)methyl]piperazine-1-carboxamide

Systemtic Name: tert-butyl carbamate; N-[(3-methylphenyl)methyl]piperazine-1-carboxamide Openeye Name: tert-butyl carbamate; N-(m-tolylmethyl)piperazine-1-carboxamide CAS Name: carbamic acid tert-butyl ester; N-[(3-methylphenyl)methyl]-1-piperazinecarboxamide IUPAC Name: tert-butyl carbamate; N-[(3-methylphenyl)methyl]piperazine-1-carboxamide Traditional Name: carbamic acid tert-butyl ester; N-(3-methylbenzyl)piperazine-1-carboxamide Formula: C18H30N4O3 MolecularWeight: 350.4558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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