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

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(4-benzyloxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(4-phenylmethoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(4-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=C(C=C2)OCC3=CC=CC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

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

InChI

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