(3R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-chloranyl-azepane

Systemtic Name: (3R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-chloranyl-azepane Openeye Name: (3R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-chloro-azepane CAS Name: (3R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-chloroazepane IUPAC Name: (3R)-1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-chloroazepane Traditional Name: (3R)-3-chloro-1-homopiperonyl-azepane Formula: C15H20ClNO2 MolecularWeight: 281.7778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)Cl)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CCN(C[C@@H](C1)Cl)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H20ClNO2/c16-13-3-1-2-7-17(10-13)8-6-12-4-5-14-15(9-12)19-11-18-14/h4-5,9,13H,1-3,6-8,10-11H2/t13-/m1/s1