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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-bromophenyl)methyl]-1,4-diazepane Openeye Name: 1-[benzothiophen-2-yl-(3-bromophenyl)methyl]-1,4-diazepane CAS Name: 1-[1-benzothiophen-2-yl-(3-bromophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[1-benzothiophen-2-yl-(3-bromophenyl)methyl]-1,4-diazepane Traditional Name: 1-[benzothiophen-2-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=CC4=CC=CC=C4S3

Isomeric SMILES

C1CNCCN(C1)C(C2=CC(=CC=C2)Br)C3=CC4=CC=CC=C4S3

InChI

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