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

Systemtic Name: 1-[(2-bromophenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(2-bromophenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(2-bromophenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(2-bromophenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(2-bromophenyl)-(3-thienyl)methyl]-1,4-diazepane Formula: C16H19BrN2S MolecularWeight: 351.30446

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CSC=C2)C3=CC=CC=C3Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CSC=C2)C3=CC=CC=C3Br

InChI

InChI=1S/C16H19BrN2S/c17-15-5-2-1-4-14(15)16(13-6-11-20-12-13)19-9-3-7-18-8-10-19/h1-2,4-6,11-12,16,18H,3,7-10H2