1-[(5-bromanylthiophen-2-yl)-pyridin-3-yl-methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-pyridin-3-yl-methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)-(3-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)-pyridin-3-ylmethyl]-1,4-diazepane Traditional Name: 1-[(5-bromo-2-thienyl)-(3-pyridyl)methyl]-1,4-diazepane Formula: C15H18BrN3S MolecularWeight: 352.29252

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CN=CC=C2)C3=CC=C(S3)Br

Isomeric SMILES

C1CNCCN(C1)C(C2=CN=CC=C2)C3=CC=C(S3)Br

InChI

InChI=1S/C15H18BrN3S/c16-14-5-4-13(20-14)15(12-3-1-6-18-11-12)19-9-2-7-17-8-10-19/h1,3-6,11,15,17H,2,7-10H2