(E)-4-[4-(2-adamantylidenemethyl)phenyl]but-2-enenitrile

Systemtic Name: (E)-4-[4-(2-adamantylidenemethyl)phenyl]but-2-enenitrile Openeye Name: (E)-4-[4-(2-adamantylidenemethyl)phenyl]but-2-enenitrile CAS Name: (E)-4-[4-(2-adamantylidenemethyl)phenyl]-2-butenenitrile IUPAC Name: (E)-4-[4-(2-adamantylidenemethyl)phenyl]but-2-enenitrile Traditional Name: (E)-4-[4-(2-adamantylidenemethyl)phenyl]but-2-enenitrile Formula: C21H23N MolecularWeight: 289.41402

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3=CC4=CC=C(C=C4)CC=CC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3=CC4=CC=C(C=C4)C/C=C/C#N

InChI

InChI=1S/C21H23N/c22-8-2-1-3-15-4-6-16(7-5-15)14-21-19-10-17-9-18(12-19)13-20(21)11-17/h1-2,4-7,14,17-20H,3,9-13H2/b2-1+,21-14?