3-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]quinoxaline-2-carbonitrile

Systemtic Name: 3-[4-[5-(1-adamantyl)-1,2,3-triazol-1-yl]phenyl]quinoxaline-2-carbonitrile Openeye Name: 3-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]quinoxaline-2-carbonitrile CAS Name: 3-[4-[5-(1-adamantyl)-1-triazolyl]phenyl]-2-quinoxalinecarbonitrile IUPAC Name: 3-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]quinoxaline-2-carbonitrile Traditional Name: 3-[4-[5-(1-adamantyl)triazol-1-yl]phenyl]quinoxaline-2-carbonitrile Formula: C27H24N6 MolecularWeight: 432.51966

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)C6=NC7=CC=CC=C7N=C6C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=CN=NN4C5=CC=C(C=C5)C6=NC7=CC=CC=C7N=C6C#N

InChI

InChI=1S/C27H24N6/c28-15-24-26(31-23-4-2-1-3-22(23)30-24)20-5-7-21(8-6-20)33-25(16-29-32-33)27-12-17-9-18(13-27)11-19(10-17)14-27/h1-8,16-19H,9-14H2