1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)azepane

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)azepane Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)azepane CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-(1-imidazolyl)phenoxy]azepane IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-imidazol-1-ylphenoxy)azepane Traditional Name: 3-(4-imidazol-1-ylphenoxy)-1-piperonyl-azepane Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC(C1)OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CCN(CC(C1)OC2=CC=C(C=C2)N3C=CN=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O3/c1-2-11-25(14-18-4-9-22-23(13-18)28-17-27-22)15-21(3-1)29-20-7-5-19(6-8-20)26-12-10-24-16-26/h4-10,12-13,16,21H,1-3,11,14-15,17H2