4-[[4-[(3-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: 4-[[4-[(3-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-[(3-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[(3-bromo-2-thiophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-[(3-bromothiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-[(3-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-isoxazole Formula: C16H22BrN3OS MolecularWeight: 384.33438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCCN(CC2)CC3=C(C=CS3)Br

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)CC3=C(C=CS3)Br

InChI

InChI=1S/C16H22BrN3OS/c1-12-14(13(2)21-18-12)10-19-5-3-6-20(8-7-19)11-16-15(17)4-9-22-16/h4,9H,3,5-8,10-11H2,1-2H3