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

Systemtic Name: 1-(3-oxidanylidene-4-propyl-cyclohexyl)-4-[4-(4-propylphenyl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(3-oxo-4-propyl-cyclohexyl)-4-[4-(4-propylphenyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(3-oxo-4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(3-oxo-4-propylcyclohexyl)-4-[4-(4-propylphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(3-keto-4-propyl-cyclohexyl)-4-[4-(4-propylphenyl)phenyl]cyclohexanecarbonitrile Formula: C31H39NO MolecularWeight: 441.64746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1=O)C2(CCC(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)CCC)C#N

Isomeric SMILES

CCCC1CCC(CC1=O)C2(CCC(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)CCC)C#N

InChI

InChI=1S/C31H39NO/c1-3-5-23-7-9-24(10-8-23)25-11-13-26(14-12-25)27-17-19-31(22-32,20-18-27)29-16-15-28(6-4-2)30(33)21-29/h7-14,27-29H,3-6,15-21H2,1-2H3