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

Systemtic Name: 3-[[4-[(5-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-[(5-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-[(5-bromo-2-thiophenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-[(5-bromothiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-[(5-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]-5-methyl-isoxazole Formula: C15H20BrN3OS MolecularWeight: 370.3078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20BrN3OS/c1-12-9-13(17-20-12)10-18-5-2-6-19(8-7-18)11-14-3-4-15(16)21-14/h3-4,9H,2,5-8,10-11H2,1H3