1-(3-oxidanylidenecyclohexyl)-4-[4-(4-propylphenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-(3-oxidanylidenecyclohexyl)-4-[4-(4-propylphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(3-oxocyclohexyl)-4-[4-(4-propylphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(3-oxocyclohexyl)-4-[4-(4-propylphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(3-oxocyclohexyl)-4-[4-(4-propylphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(3-ketocyclohexyl)-4-[4-(4-propylphenyl)phenyl]cyclohexanecarbonitrile Formula: C28H33NO MolecularWeight: 399.56772

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCCC(=O)C4

Isomeric SMILES

CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCCC(=O)C4

InChI

InChI=1S/C28H33NO/c1-2-4-21-7-9-22(10-8-21)23-11-13-24(14-12-23)25-15-17-28(20-29,18-16-25)26-5-3-6-27(30)19-26/h7-14,25-26H,2-6,15-19H2,1H3