1-[1-(5-bromanylthiophen-2-yl)-2-pyridin-2-yl-ethyl]-1,4-diazepane

Systemtic Name: 1-[1-(5-bromanylthiophen-2-yl)-2-pyridin-2-yl-ethyl]-1,4-diazepane Openeye Name: 1-[1-(5-bromo-2-thienyl)-2-(2-pyridyl)ethyl]-1,4-diazepane CAS Name: 1-[1-(5-bromo-2-thiophenyl)-2-(2-pyridinyl)ethyl]-1,4-diazepane IUPAC Name: 1-[1-(5-bromothiophen-2-yl)-2-pyridin-2-ylethyl]-1,4-diazepane Traditional Name: 1-[1-(5-bromo-2-thienyl)-2-(2-pyridyl)ethyl]-1,4-diazepane Formula: C16H20BrN3S MolecularWeight: 366.3191

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(CC2=CC=CC=N2)C3=CC=C(S3)Br

Isomeric SMILES

C1CNCCN(C1)C(CC2=CC=CC=N2)C3=CC=C(S3)Br

InChI

InChI=1S/C16H20BrN3S/c17-16-6-5-15(21-16)14(12-13-4-1-2-8-19-13)20-10-3-7-18-9-11-20/h1-2,4-6,8,14,18H,3,7,9-12H2