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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)OC3=CC=CC=C3)C4=CSC5=CC=CC=C54

InChI

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