(3-bromanylthiophen-2-yl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone

Systemtic Name: (3-bromanylthiophen-2-yl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Openeye Name: (3-bromo-2-thienyl)-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone CAS Name: (3-bromo-2-thiophenyl)-[4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]methanone IUPAC Name: (3-bromothiophen-2-yl)-[4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepan-1-yl]methanone Traditional Name: (3-bromo-2-thienyl)-[4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepan-1-yl]methanone Formula: C17H20BrN3OS MolecularWeight: 394.3292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)Br

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=O)C3=C(C=CS3)Br

InChI

InChI=1S/C17H20BrN3OS/c1-13-4-2-5-14(19-13)12-20-7-3-8-21(10-9-20)17(22)16-15(18)6-11-23-16/h2,4-6,11H,3,7-10,12H2,1H3