1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxy-phenyl)methyl]-1,4-diazepane Openeye Name: 1-[1,3-benzodioxol-5-yl-(4-benzyloxy-3-methoxy-phenyl)methyl]-1,4-diazepane CAS Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1,3-benzodioxol-5-yl-(3-methoxy-4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[1,3-benzodioxol-5-yl-(4-benzoxy-3-methoxy-phenyl)methyl]-1,4-diazepane Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C(C2=CC3=C(C=C2)OCO3)N4CCCNCC4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H30N2O4/c1-30-25-16-21(8-10-23(25)31-18-20-6-3-2-4-7-20)27(29-14-5-12-28-13-15-29)22-9-11-24-26(17-22)33-19-32-24/h2-4,6-11,16-17,27-28H,5,12-15,18-19H2,1H3