5-pentyl-2-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 5-pentyl-2-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 5-pentyl-2-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]benzonitrile CAS Name: 5-pentyl-2-[2-[1-(4-pentylcyclohexyl)ethyl]-5-pyrimidinyl]benzonitrile IUPAC Name: 5-pentyl-2-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]benzonitrile Traditional Name: 5-amyl-2-[2-[1-(4-amylcyclohexyl)ethyl]pyrimidin-5-yl]benzonitrile Formula: C29H41N3 MolecularWeight: 431.65594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(C)C2=NC=C(C=N2)C3=C(C=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C(C)C2=NC=C(C=N2)C3=C(C=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C29H41N3/c1-4-6-8-10-23-12-15-25(16-13-23)22(3)29-31-20-27(21-32-29)28-17-14-24(11-9-7-5-2)18-26(28)19-30/h14,17-18,20-23,25H,4-13,15-16H2,1-3H3