4-[3,5-bis(chloranyl)-2-methoxy-phenoxy]-1-prop-2-enyl-azepane

Systemtic Name: 4-[3,5-bis(chloranyl)-2-methoxy-phenoxy]-1-prop-2-enyl-azepane Openeye Name: 1-allyl-4-(3,5-dichloro-2-methoxy-phenoxy)azepane CAS Name: 4-(3,5-dichloro-2-methoxyphenoxy)-1-prop-2-enylazepane IUPAC Name: 4-(3,5-dichloro-2-methoxyphenoxy)-1-prop-2-enylazepane Traditional Name: 1-allyl-4-(3,5-dichloro-2-methoxy-phenoxy)azepane Formula: C16H21Cl2NO2 MolecularWeight: 330.24944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1OC2CCCN(CC2)CC=C)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1OC2CCCN(CC2)CC=C)Cl)Cl

InChI

InChI=1S/C16H21Cl2NO2/c1-3-7-19-8-4-5-13(6-9-19)21-15-11-12(17)10-14(18)16(15)20-2/h3,10-11,13H,1,4-9H2,2H3