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

Systemtic Name: 4-[[4-[(5-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-[(5-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-isoxazole CAS Name: 4-[[4-[(5-bromo-2-thiophenyl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethylisoxazole IUPAC Name: 4-[[4-[(5-bromothiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Traditional Name: 4-[[4-[(5-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=CC=C(S3)Br

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCCN(CC2)CC3=CC=C(S3)Br

InChI

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