4-(1-adamantyl)-5-(4-chloranyl-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole

Systemtic Name: 4-(1-adamantyl)-5-(4-chloranyl-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole Openeye Name: 4-(1-adamantyl)-5-(4-chloro-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole CAS Name: 4-(1-adamantyl)-5-(4-chloro-3-nitrophenyl)-3-phenyl-5H-1,2,4-oxadiazole IUPAC Name: 4-(1-adamantyl)-5-(4-chloro-3-nitrophenyl)-3-phenyl-5H-1,2,4-oxadiazole Traditional Name: 4-(1-adamantyl)-5-(4-chloro-3-nitro-phenyl)-3-phenyl-5H-1,2,4-oxadiazole Formula: C24H24ClN3O3 MolecularWeight: 437.91866

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N4C(ON=C4C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)[N+](=O)[O-]

InChI

InChI=1S/C24H24ClN3O3/c25-20-7-6-19(11-21(20)28(29)30)23-27(22(26-31-23)18-4-2-1-3-5-18)24-12-15-8-16(13-24)10-17(9-15)14-24/h1-7,11,15-17,23H,8-10,12-14H2