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

Systemtic Name: 3-[[4-[(3-bromanylthiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Openeye Name: 3-[[4-[(3-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole CAS Name: 3-[[4-[(3-bromo-2-thiophenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole IUPAC Name: 3-[[4-[(3-bromothiophen-2-yl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Traditional Name: 3-[[4-[(3-bromo-2-thienyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Formula: C19H21BrN4OS MolecularWeight: 433.36524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NOC(=N2)C3=CC=CC=C3)CC4=C(C=CS4)Br

Isomeric SMILES

C1CN(CCN(C1)CC2=NOC(=N2)C3=CC=CC=C3)CC4=C(C=CS4)Br

InChI

InChI=1S/C19H21BrN4OS/c20-16-7-12-26-17(16)13-23-8-4-9-24(11-10-23)14-18-21-19(25-22-18)15-5-2-1-3-6-15/h1-3,5-7,12H,4,8-11,13-14H2