4-[4-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(4-oxidanylidenecyclohexa-1,5-dien-1-yl)phenyl]-1-pentyl-cyclohexane-1-carbonitrile Openeye Name: 4-[4-(4-oxocyclohexa-1,5-dien-1-yl)phenyl]-1-pentyl-cyclohexanecarbonitrile CAS Name: 4-[4-(4-oxo-1-cyclohexa-1,5-dienyl)phenyl]-1-pentyl-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(4-oxocyclohexa-1,5-dien-1-yl)phenyl]-1-pentylcyclohexane-1-carbonitrile Traditional Name: 1-amyl-4-[4-(4-ketocyclohexa-1,5-dien-1-yl)phenyl]cyclohexanecarbonitrile Formula: C24H29NO MolecularWeight: 347.49316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CCC(=O)C=C3)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C2=CC=C(C=C2)C3=CCC(=O)C=C3)C#N

InChI

InChI=1S/C24H29NO/c1-2-3-4-15-24(18-25)16-13-22(14-17-24)20-7-5-19(6-8-20)21-9-11-23(26)12-10-21/h5-11,22H,2-4,12-17H2,1H3