2-(5-bromanylpyridin-3-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(5-bromanylpyridin-3-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(5-bromo-3-pyridyl)-1-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(5-bromo-3-pyridinyl)-1-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(5-bromopyridin-3-yl)-1-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(5-bromo-3-pyridyl)-1-[4-(3-thenyl)-1,4-diazepan-1-yl]ethanone Formula: C17H20BrN3OS MolecularWeight: 394.3292

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2=CC(=CN=C2)Br)CC3=CSC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2=CC(=CN=C2)Br)CC3=CSC=C3

InChI

InChI=1S/C17H20BrN3OS/c18-16-8-15(10-19-11-16)9-17(22)21-4-1-3-20(5-6-21)12-14-2-7-23-13-14/h2,7-8,10-11,13H,1,3-6,9,12H2