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

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-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=C(C=C2)OCC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

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

InChI

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