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

Systemtic Name: 5-phenyl-3-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Openeye Name: 5-phenyl-3-[[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole CAS Name: 5-phenyl-3-[[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole IUPAC Name: 5-phenyl-3-[[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Traditional Name: 5-phenyl-3-[[4-(3-thenyl)-1,4-diazepan-1-yl]methyl]-1,2,4-oxadiazole Formula: C19H22N4OS MolecularWeight: 354.46918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC2=NOC(=N2)C3=CC=CC=C3)CC4=CSC=C4

Isomeric SMILES

C1CN(CCN(C1)CC2=NOC(=N2)C3=CC=CC=C3)CC4=CSC=C4

InChI

InChI=1S/C19H22N4OS/c1-2-5-17(6-3-1)19-20-18(21-24-19)14-23-9-4-8-22(10-11-23)13-16-7-12-25-15-16/h1-3,5-7,12,15H,4,8-11,13-14H2