6-(2-adamantylidene)-1-(1,2,4-triazol-1-ylmethyl)cyclohexa-2,4-diene-1-carbonitrile

Systemtic Name: 6-(2-adamantylidene)-1-(1,2,4-triazol-1-ylmethyl)cyclohexa-2,4-diene-1-carbonitrile Openeye Name: 6-(2-adamantylidene)-1-(1,2,4-triazol-1-ylmethyl)cyclohexa-2,4-diene-1-carbonitrile CAS Name: 6-(2-adamantylidene)-1-(1,2,4-triazol-1-ylmethyl)-1-cyclohexa-2,4-dienecarbonitrile IUPAC Name: 6-(2-adamantylidene)-1-(1,2,4-triazol-1-ylmethyl)cyclohexa-2,4-diene-1-carbonitrile Traditional Name: 6-(2-adamantylidene)-1-(1,2,4-triazol-1-ylmethyl)cyclohexa-2,4-diene-1-carbonitrile Formula: C20H22N4 MolecularWeight: 318.41548

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=C4C=CC=CC4(CN5C=NC=N5)C#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=C4C=CC=CC4(CN5C=NC=N5)C#N

InChI

InChI=1S/C20H22N4/c21-10-20(11-24-13-22-12-23-24)4-2-1-3-18(20)19-16-6-14-5-15(8-16)9-17(19)7-14/h1-4,12-17H,5-9,11H2