(5-bromanylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (5-bromanylthiophen-2-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (5-bromo-2-thienyl)-[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (5-bromo-2-thiophenyl)-[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (5-bromothiophen-2-yl)-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (5-bromo-2-thienyl)-[4-(3-pyridylmethyl)-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=C(S2)Br)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=C(S2)Br)CC3=CN=CC=C3

InChI

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