4-[2-adamantylidene(1,2,3-triazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 4-[2-adamantylidene(1,2,3-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 4-[2-adamantylidene(triazol-1-yl)methyl]benzonitrile CAS Name: 4-[2-adamantylidene(1-triazolyl)methyl]benzonitrile IUPAC Name: 4-[2-adamantylidene(triazol-1-yl)methyl]benzonitrile Traditional Name: 4-[2-adamantylidene(triazol-1-yl)methyl]benzonitrile Formula: C20H20N4 MolecularWeight: 316.3996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=C(C4=CC=C(C=C4)C#N)N5C=CN=N5

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=C(C4=CC=C(C=C4)C#N)N5C=CN=N5

InChI

InChI=1S/C20H20N4/c21-12-13-1-3-16(4-2-13)20(24-6-5-22-23-24)19-17-8-14-7-15(10-17)11-18(19)9-14/h1-6,14-15,17-18H,7-11H2