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

Systemtic Name: 5-pentyl-2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 5-pentyl-2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 5-pentyl-2-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 5-pentyl-2-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 5-amyl-2-[5-(4-amylcyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C27H37N3 MolecularWeight: 403.60278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3/c1-3-5-7-9-21-11-14-23(15-12-21)25-19-29-27(30-20-25)26-16-13-22(10-8-6-4-2)17-24(26)18-28/h13,16-17,19-21,23H,3-12,14-15H2,1-2H3