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

Systemtic Name: 1-[(3-bromophenyl)-thiophen-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(3-bromophenyl)-(3-thienyl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromophenyl)-(3-thiophenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromophenyl)-thiophen-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(3-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=CC(=CC=C2)Br)C3=CSC=C3

Isomeric SMILES

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

InChI

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