1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-yl-(3-phenoxyphenyl)methyl]-1,4-diazepane Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5S4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CC5=CC=CC=C5S4

InChI

InChI=1S/C26H26N2OS/c1-2-10-22(11-3-1)29-23-12-6-9-21(18-23)26(28-16-7-14-27-15-17-28)25-19-20-8-4-5-13-24(20)30-25/h1-6,8-13,18-19,26-27H,7,14-17H2