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

Systemtic Name: (6-bromanylpyridin-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (6-bromo-2-pyridyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (6-bromo-2-pyridinyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (6-bromopyridin-2-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (6-bromo-2-pyridyl)-[4-(3-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=NC(=CC=C2)Br)CC3=CSC=C3

Isomeric SMILES

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

InChI

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