3-(3,4-dichlorophenyl)-3-[3-(oxan-2-yloxy)propyl]azepane

Systemtic Name: 3-(3,4-dichlorophenyl)-3-[3-(oxan-2-yloxy)propyl]azepane Openeye Name: 3-(3,4-dichlorophenyl)-3-(3-tetrahydropyran-2-yloxypropyl)azepane CAS Name: 3-(3,4-dichlorophenyl)-3-[3-(2-oxanyloxy)propyl]azepane IUPAC Name: 3-(3,4-dichlorophenyl)-3-[3-(oxan-2-yloxy)propyl]azepane Traditional Name: 3-(3,4-dichlorophenyl)-3-(3-tetrahydropyran-2-yloxypropyl)azepane Formula: C20H29Cl2NO2 MolecularWeight: 386.35576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCCCC2(CCCCNC2)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCOC(C1)OCCCC2(CCCCNC2)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H29Cl2NO2/c21-17-8-7-16(14-18(17)22)20(9-2-3-11-23-15-20)10-5-13-25-19-6-1-4-12-24-19/h7-8,14,19,23H,1-6,9-13,15H2