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

Systemtic Name: 2-pentyl-5-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-pentyl-5-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 2-pentyl-5-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 2-pentyl-5-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 2-amyl-5-[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=CC(=C(C=C3)CCCCC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3/c1-3-5-7-9-21-11-13-23(14-12-21)26-19-29-27(30-20-26)24-16-15-22(10-8-6-4-2)25(17-24)18-28/h15-17,19-21,23H,3-14H2,1-2H3