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

Systemtic Name: 4-[(3R,5S)-4-methylidene-1-adamantyl]benzenecarbonitrile Openeye Name: 4-[(3R,5S)-4-methylene-1-adamantyl]benzonitrile CAS Name: 4-[(3R,5S)-4-methylene-1-adamantyl]benzonitrile IUPAC Name: 4-[(3R,5S)-4-methylidene-1-adamantyl]benzonitrile Traditional Name: 4-[(3R,5S)-4-methylene-1-adamantyl]benzonitrile Formula: C18H19N MolecularWeight: 249.35016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C=C1[C@@H]2CC3C[C@H]1CC(C2)(C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H19N/c1-12-15-6-14-7-16(12)10-18(8-14,9-15)17-4-2-13(11-19)3-5-17/h2-5,14-16H,1,6-10H2/t14?,15-,16+,18?