4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-nonylcyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-nonylcyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C26H35N3 MolecularWeight: 389.5762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H35N3/c1-2-3-4-5-6-7-8-9-21-10-14-23(15-11-21)25-19-28-26(29-20-25)24-16-12-22(18-27)13-17-24/h12-13,16-17,19-21,23H,2-11,14-15H2,1H3