1-[3-(4-bromanyl-3-chloranyl-phenyl)prop-2-ynyl]azepane

Systemtic Name: 1-[3-(4-bromanyl-3-chloranyl-phenyl)prop-2-ynyl]azepane Openeye Name: 1-[3-(4-bromo-3-chloro-phenyl)prop-2-ynyl]azepane CAS Name: 1-[3-(4-bromo-3-chlorophenyl)prop-2-ynyl]azepane IUPAC Name: 1-[3-(4-bromo-3-chlorophenyl)prop-2-ynyl]azepane Traditional Name: 1-[3-(4-bromo-3-chloro-phenyl)prop-2-ynyl]azepane Formula: C15H17BrClN MolecularWeight: 326.65918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CC#CC2=CC(=C(C=C2)Br)Cl

Isomeric SMILES

C1CCCN(CC1)CC#CC2=CC(=C(C=C2)Br)Cl

InChI

InChI=1S/C15H17BrClN/c16-14-8-7-13(12-15(14)17)6-5-11-18-9-3-1-2-4-10-18/h7-8,12H,1-4,9-11H2