1-[4-(phenylmethyl)-1,4,7-triazonan-1-yl]ethanone

Systemtic Name: 1-[4-(phenylmethyl)-1,4,7-triazonan-1-yl]ethanone Openeye Name: 1-(4-benzyl-1,4,7-triazonan-1-yl)ethanone CAS Name: 1-[4-(phenylmethyl)-1,4,7-triazonan-1-yl]ethanone IUPAC Name: 1-(4-benzyl-1,4,7-triazonan-1-yl)ethanone Traditional Name: 1-(4-benzyl-1,4,7-triazonan-1-yl)ethanone Formula: C15H23N3O MolecularWeight: 261.36262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCNCCN(CC1)CC2=CC=CC=C2

Isomeric SMILES

CC(=O)N1CCNCCN(CC1)CC2=CC=CC=C2

InChI

InChI=1S/C15H23N3O/c1-14(19)18-10-8-16-7-9-17(11-12-18)13-15-5-3-2-4-6-15/h2-6,16H,7-13H2,1H3