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

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

Systemtic Name:1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane
Openeye Name:1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane
CAS Name:1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane
IUPAC Name:1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane
Traditional Name:1-[1,3-benzodioxol-5-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane
Formula: C25H26N2O3
MolecularWeight: 402.48554
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5


Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=C(C=C4)OCO5


InChI

InChI=1S/C25H26N2O3/c1-2-7-21(8-3-1)30-22-9-4-6-19(16-22)25(27-14-5-12-26-13-15-27)20-10-11-23-24(17-20)29-18-28-23/h1-4,6-11,16-17,25-26H,5,12-15,18H2


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