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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-bromophenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-3-yl-(3-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-3-yl-(3-bromophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-3-yl-(3-bromophenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-3-yl-(3-bromophenyl)methyl]-1,4-diazepane Formula: C20H21BrN2S MolecularWeight: 401.36314

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC(=CC=C2)Br)C3=CSC4=CC=CC=C43

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)Br)C3=CSC4=CC=CC=C43

InChI

InChI=1S/C20H21BrN2S/c21-16-6-3-5-15(13-16)20(23-11-4-9-22-10-12-23)18-14-24-19-8-2-1-7-17(18)19/h1-3,5-8,13-14,20,22H,4,9-12H2