4-[(E)-3-(1-adamantyl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(1-adamantyl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(1-adamantyl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-(1-adamantyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(1-adamantyl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-(1-adamantyl)-3-keto-prop-1-enyl]benzonitrile Formula: C20H21NO MolecularWeight: 291.38684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO/c21-13-15-3-1-14(2-4-15)5-6-19(22)20-10-16-7-17(11-20)9-18(8-16)12-20/h1-6,16-18H,7-12H2/b6-5+