1-[(5-bromanylthiophen-2-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(5-bromo-2-thienyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-[(5-bromo-2-thiophenyl)methyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[(5-bromothiophen-2-yl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[(5-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=CC=C(S3)Br

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)CC3=CC=C(S3)Br

InChI

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