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

Systemtic Name: (3-bromanylthiophen-2-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-2-thienyl)-[4-(4-pyridylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-2-thiophenyl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromothiophen-2-yl)-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-2-thienyl)-[4-(4-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=C(C=CS2)Br)CC3=CC=NC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=C(C=CS2)Br)CC3=CC=NC=C3

InChI

InChI=1S/C16H18BrN3OS/c17-14-4-11-22-15(14)16(21)20-8-1-7-19(9-10-20)12-13-2-5-18-6-3-13/h2-6,11H,1,7-10,12H2