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

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

Systemtic Name:1-[1-benzothiophen-3-yl-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
Openeye Name:1-[benzothiophen-3-yl-(3-benzyloxyphenyl)methyl]-1,4-diazepane
CAS Name:1-[1-benzothiophen-3-yl-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
IUPAC Name:1-[1-benzothiophen-3-yl-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
Traditional Name:1-[benzothiophen-3-yl-(3-benzoxyphenyl)methyl]-1,4-diazepane
Formula: C27H28N2OS
MolecularWeight: 428.58902
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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54


Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54


InChI

InChI=1S/C27H28N2OS/c1-2-8-21(9-3-1)19-30-23-11-6-10-22(18-23)27(29-16-7-14-28-15-17-29)25-20-31-26-13-5-4-12-24(25)26/h1-6,8-13,18,20,27-28H,7,14-17,19H2


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