5-heptan-4-ylcyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: 5-heptan-4-ylcyclohexa-1,5-diene-1-carbonitrile Openeye Name: 5-(1-propylbutyl)cyclohexa-1,5-diene-1-carbonitrile CAS Name: 5-heptan-4-yl-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: 5-heptan-4-ylcyclohexa-1,5-diene-1-carbonitrile Traditional Name: 5-(1-propylbutyl)cyclohexa-1,5-diene-1-carbonitrile Formula: C14H21N MolecularWeight: 203.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC(=CCC1)C#N

Isomeric SMILES

CCCC(CCC)C1=CC(=CCC1)C#N

InChI

InChI=1S/C14H21N/c1-3-6-13(7-4-2)14-9-5-8-12(10-14)11-15/h8,10,13H,3-7,9H2,1-2H3