4-[(3R,5S)-4-oxidanylidene-1-adamantyl]benzenecarbonitrile

Systemtic Name: 4-[(3R,5S)-4-oxidanylidene-1-adamantyl]benzenecarbonitrile Openeye Name: 4-[(3R,5S)-4-oxo-1-adamantyl]benzonitrile CAS Name: 4-[(3R,5S)-4-oxo-1-adamantyl]benzonitrile IUPAC Name: 4-[(3R,5S)-4-oxo-1-adamantyl]benzonitrile Traditional Name: 4-[(3R,5S)-4-keto-1-adamantyl]benzonitrile Formula: C17H17NO MolecularWeight: 251.32298

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC(C2)(CC1C3=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1[C@@H]2CC3(C[C@@H](C2=O)CC1C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C17H17NO/c18-10-11-1-3-15(4-2-11)17-7-12-5-13(8-17)16(19)14(6-12)9-17/h1-4,12-14H,5-9H2/t12?,13-,14+,17?