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

Systemtic Name: 2-pentyl-5-[5-[(4-pentylcyclohexyl)methoxy]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-pentyl-5-[5-[(4-pentylcyclohexyl)methoxy]pyrimidin-2-yl]benzonitrile CAS Name: 2-pentyl-5-[5-[(4-pentylcyclohexyl)methoxy]-2-pyrimidinyl]benzonitrile IUPAC Name: 2-pentyl-5-[5-[(4-pentylcyclohexyl)methoxy]pyrimidin-2-yl]benzonitrile Traditional Name: 2-amyl-5-[5-[(4-amylcyclohexyl)methoxy]pyrimidin-2-yl]benzonitrile Formula: C28H39N3O MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)COC2=CN=C(N=C2)C3=CC(=C(C=C3)CCCCC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)COC2=CN=C(N=C2)C3=CC(=C(C=C3)CCCCC)C#N

InChI

InChI=1S/C28H39N3O/c1-3-5-7-9-22-11-13-23(14-12-22)21-32-27-19-30-28(31-20-27)25-16-15-24(10-8-6-4-2)26(17-25)18-29/h15-17,19-20,22-23H,3-14,21H2,1-2H3