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

Systemtic Name: 3-[[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Openeye Name: 3-[[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole CAS Name: 3-[[4-[(1-methyl-4-imidazolyl)sulfonyl]-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole IUPAC Name: 3-[[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Traditional Name: 3-[[4-(1-methylimidazol-4-yl)sulfonyl-1,4-diazepan-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

Isomeric SMILES

CN1C=C(N=C1)S(=O)(=O)N2CCCN(CC2)CC3=NOC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C18H22N6O3S/c1-22-13-17(19-14-22)28(25,26)24-9-5-8-23(10-11-24)12-16-20-18(27-21-16)15-6-3-2-4-7-15/h2-4,6-7,13-14H,5,8-12H2,1H3