1-[1,3-benzodioxol-5-yl-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(3-benzyloxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(3-benzoxyphenyl)methyl]-1,4-diazepane Formula: C26H28N2O3 MolecularWeight: 416.51212

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H28N2O3/c1-2-6-20(7-3-1)18-29-23-9-4-8-21(16-23)26(28-14-5-12-27-13-15-28)22-10-11-24-25(17-22)31-19-30-24/h1-4,6-11,16-17,26-27H,5,12-15,18-19H2