(E)-1-(azepan-1-yl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)prop-2-en-1-one Formula: C18H22ClNO3 MolecularWeight: 335.82518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CC3=C(C(=C2)Cl)OCCCO3

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CC3=C(C(=C2)Cl)OCCCO3

InChI

InChI=1S/C18H22ClNO3/c19-15-12-14(13-16-18(15)23-11-5-10-22-16)6-7-17(21)20-8-3-1-2-4-9-20/h6-7,12-13H,1-5,8-11H2/b7-6+