2-[3-[3-(1-adamantyl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]-2-oxidanylidene-1H-indol-3-yl]propanedinitrile

Systemtic Name: 2-[3-[3-(1-adamantyl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]-2-oxidanylidene-1H-indol-3-yl]propanedinitrile Openeye Name: 2-[3-[3-(1-adamantyl)-5-oxo-1,2-dihydropyrazol-4-yl]-2-oxo-indolin-3-yl]propanedinitrile CAS Name: 2-[3-[3-(1-adamantyl)-5-oxo-1,2-dihydropyrazol-4-yl]-2-oxo-1H-indol-3-yl]propanedinitrile IUPAC Name: 2-[3-[3-(1-adamantyl)-5-oxo-1,2-dihydropyrazol-4-yl]-2-oxo-1H-indol-3-yl]propanedinitrile Traditional Name: 2-[3-[3-(1-adamantyl)-5-keto-3-pyrazolin-4-yl]-2-keto-indolin-3-yl]malononitrile Formula: C24H23N5O2 MolecularWeight: 413.47172

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C(=O)NN4)C5(C6=CC=CC=C6NC5=O)C(C#N)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C(=O)NN4)C5(C6=CC=CC=C6NC5=O)C(C#N)C#N

InChI

InChI=1S/C24H23N5O2/c25-11-16(12-26)24(17-3-1-2-4-18(17)27-22(24)31)19-20(28-29-21(19)30)23-8-13-5-14(9-23)7-15(6-13)10-23/h1-4,13-16H,5-10H2,(H,27,31)(H2,28,29,30)