3-[4-(1-adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzenecarbonitrile

Systemtic Name: 3-[4-(1-adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzenecarbonitrile Openeye Name: 3-[4-(1-adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile CAS Name: 3-[4-(1-adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile IUPAC Name: 3-[4-(1-adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile Traditional Name: 3-[4-(1-adamantyl)-3-(4-nitrophenyl)-5H-1,2,4-oxadiazol-5-yl]benzonitrile Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24N4O3/c26-15-16-2-1-3-21(11-16)24-28(25-12-17-8-18(13-25)10-19(9-17)14-25)23(27-32-24)20-4-6-22(7-5-20)29(30)31/h1-7,11,17-19,24H,8-10,12-14H2