N-[1-(2-cyanopyrrolidin-1-yl)ethyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]benzeneamine oxide

Systemtic Name: N-[1-(2-cyanopyrrolidin-1-yl)ethyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]benzeneamine oxide Openeye Name: N-(tert-butoxycarbonylamino)-N-[1-(2-cyanopyrrolidin-1-yl)ethyl]benzeneamine oxide CAS Name: N-[1-(2-cyano-1-pyrrolidinyl)ethyl]-N-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzeneamine oxide IUPAC Name: N-[1-(2-cyanopyrrolidin-1-yl)ethyl]-N-[(2-methylpropan-2-yl)oxycarbonylamino]benzeneamine oxide Traditional Name: N-(tert-butoxycarbonylamino)-N-[1-(2-cyanopyrrolidino)ethyl]benzeneamine oxide Formula: C18H26N4O3 MolecularWeight: 346.42404

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCC1C#N)[N+](C2=CC=CC=C2)(NC(=O)OC(C)(C)C)[O-]

Isomeric SMILES

CC(N1CCCC1C#N)[N+](C2=CC=CC=C2)(NC(=O)OC(C)(C)C)[O-]

InChI

InChI=1S/C18H26N4O3/c1-14(21-12-8-9-15(21)13-19)22(24,16-10-6-5-7-11-16)20-17(23)25-18(2,3)4/h5-7,10-11,14-15H,8-9,12H2,1-4H3,(H,20,23)