2-(4-chlorophenyl)adamantane-2-carbonitrile

Systemtic Name: 2-(4-chlorophenyl)adamantane-2-carbonitrile Openeye Name: 2-(4-chlorophenyl)adamantane-2-carbonitrile CAS Name: 2-(4-chlorophenyl)-2-adamantanecarbonitrile IUPAC Name: 2-(4-chlorophenyl)adamantane-2-carbonitrile Traditional Name: 2-(4-chlorophenyl)adamantane-2-carbonitrile Formula: C17H18ClN MolecularWeight: 271.78452

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H18ClN/c18-16-3-1-13(2-4-16)17(10-19)14-6-11-5-12(8-14)9-15(17)7-11/h1-4,11-12,14-15H,5-9H2