3-(chloromethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]azepane

Systemtic Name: 3-(chloromethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]azepane Openeye Name: 3-(chloromethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]azepane CAS Name: 3-(chloromethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]azepane IUPAC Name: 3-(chloromethyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]azepane Traditional Name: 3-(chloromethyl)-1-homoveratryl-azepane Formula: C17H26ClNO2 MolecularWeight: 311.84684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCCCC(C2)CCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCCCC(C2)CCl)OC

InChI

InChI=1S/C17H26ClNO2/c1-20-16-7-6-14(11-17(16)21-2)8-10-19-9-4-3-5-15(12-18)13-19/h6-7,11,15H,3-5,8-10,12-13H2,1-2H3