1-[(3-bromanylthiophen-2-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(3-bromanylthiophen-2-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(3-bromo-2-thienyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-[(3-bromo-2-thiophenyl)methyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[(3-bromothiophen-2-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(3-bromo-2-thienyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C15H21BrN4S MolecularWeight: 369.32304

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)CC3=C(C=CS3)Br

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=C(C=CS3)Br

InChI

InChI=1S/C15H21BrN4S/c1-18-7-4-17-15(18)12-20-6-2-5-19(8-9-20)11-14-13(16)3-10-21-14/h3-4,7,10H,2,5-6,8-9,11-12H2,1H3