1-[2-fluoranyl-4-(isocyanatomethyl)phenyl]azepane

Systemtic Name: 1-[2-fluoranyl-4-(isocyanatomethyl)phenyl]azepane Openeye Name: 1-[2-fluoro-4-(isocyanatomethyl)phenyl]azepane CAS Name: 1-[2-fluoro-4-(isocyanatomethyl)phenyl]azepane IUPAC Name: 1-[2-fluoro-4-(isocyanatomethyl)phenyl]azepane Traditional Name: 1-[2-fluoro-4-(isocyanatomethyl)phenyl]azepane Formula: C14H17FN2O MolecularWeight: 248.295983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)CN=C=O)F

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)CN=C=O)F

InChI

InChI=1S/C14H17FN2O/c15-13-9-12(10-16-11-18)5-6-14(13)17-7-3-1-2-4-8-17/h5-6,9H,1-4,7-8,10H2