1-(3-oxidanylidene-4-propyl-cyclohexyl)-4-[4-(4-pentylphenyl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-(3-oxidanylidene-4-propyl-cyclohexyl)-4-[4-(4-pentylphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(3-oxo-4-propyl-cyclohexyl)-4-[4-(4-pentylphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(3-oxo-4-propylcyclohexyl)-4-[4-(4-pentylphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(3-oxo-4-propylcyclohexyl)-4-[4-(4-pentylphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 4-[4-(4-amylphenyl)phenyl]-1-(3-keto-4-propyl-cyclohexyl)cyclohexanecarbonitrile Formula: C33H43NO MolecularWeight: 469.70062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCC(C(=O)C4)CCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(C#N)C4CCC(C(=O)C4)CCC

InChI

InChI=1S/C33H43NO/c1-3-5-6-8-25-9-11-26(12-10-25)27-13-15-28(16-14-27)29-19-21-33(24-34,22-20-29)31-18-17-30(7-4-2)32(35)23-31/h9-16,29-31H,3-8,17-23H2,1-2H3