4-[1-chloranyl-5-[2-(4-heptylcyclohexyl)ethyl]-2H-pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[1-chloranyl-5-[2-(4-heptylcyclohexyl)ethyl]-2H-pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[1-chloro-5-[2-(4-heptylcyclohexyl)ethyl]-2H-pyrimidin-2-yl]benzonitrile CAS Name: 4-[1-chloro-5-[2-(4-heptylcyclohexyl)ethyl]-2H-pyrimidin-2-yl]benzonitrile IUPAC Name: 4-[1-chloro-5-[2-(4-heptylcyclohexyl)ethyl]-2H-pyrimidin-2-yl]benzonitrile Traditional Name: 4-[1-chloro-5-[2-(4-heptylcyclohexyl)ethyl]-2H-pyrimidin-2-yl]benzonitrile Formula: C26H36ClN3 MolecularWeight: 426.03714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=CN(C(N=C2)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=CN(C(N=C2)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C26H36ClN3/c1-2-3-4-5-6-7-21-8-10-22(11-9-21)12-13-24-19-29-26(30(27)20-24)25-16-14-23(18-28)15-17-25/h14-17,19-22,26H,2-13H2,1H3