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

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C16H18BrN3OS MolecularWeight: 380.30262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC(=CN=C2)Br)CC3=CC=CS3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC(=CN=C2)Br)CC3=CC=CS3

InChI

InChI=1S/C16H18BrN3OS/c17-14-9-13(10-18-11-14)16(21)20-5-2-4-19(6-7-20)12-15-3-1-8-22-15/h1,3,8-11H,2,4-7,12H2