3-ethyl-6-[1-(4-pentylcyclohexyl)cyclohexyl]benzene-1,2-dicarbonitrile

Systemtic Name: 3-ethyl-6-[1-(4-pentylcyclohexyl)cyclohexyl]benzene-1,2-dicarbonitrile Openeye Name: 3-ethyl-6-[1-(4-pentylcyclohexyl)cyclohexyl]phthalonitrile CAS Name: 3-ethyl-6-[1-(4-pentylcyclohexyl)cyclohexyl]benzene-1,2-dicarbonitrile IUPAC Name: 3-ethyl-6-[1-(4-pentylcyclohexyl)cyclohexyl]benzene-1,2-dicarbonitrile Traditional Name: 3-[1-(4-amylcyclohexyl)cyclohexyl]-6-ethyl-phthalonitrile Formula: C27H38N2 MolecularWeight: 390.60402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2(CCCCC2)C3=C(C(=C(C=C3)CC)C#N)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2(CCCCC2)C3=C(C(=C(C=C3)CC)C#N)C#N

InChI

InChI=1S/C27H38N2/c1-3-5-7-10-21-11-14-23(15-12-21)27(17-8-6-9-18-27)26-16-13-22(4-2)24(19-28)25(26)20-29/h13,16,21,23H,3-12,14-15,17-18H2,1-2H3