(1S,5R)-4-isocyanato-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-3-ene

Systemtic Name: (1S,5R)-4-isocyanato-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-3-ene Openeye Name: (1S,5R)-4-isocyanato-8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]oct-3-ene CAS Name: (1S,5R)-4-isocyanato-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-3-ene IUPAC Name: (1S,5R)-4-isocyanato-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]oct-3-ene Traditional Name: (1S,5R)-4-isocyanato-8-methyl-3-(p-tolyl)-8-azabicyclo[3.2.1]oct-3-ene Formula: C16H18N2O MolecularWeight: 254.32692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C3CCC(C2)N3C)N=C=O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C([C@H]3CC[C@@H](C2)N3C)N=C=O

InChI

InChI=1S/C16H18N2O/c1-11-3-5-12(6-4-11)14-9-13-7-8-15(18(13)2)16(14)17-10-19/h3-6,13,15H,7-9H2,1-2H3/t13-,15+/m0/s1