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

Systemtic Name: 4-[1-chloranyl-5-[2-(4-pentylcyclohexyl)ethyl]-2H-pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[1-chloro-5-[2-(4-pentylcyclohexyl)ethyl]-2H-pyrimidin-2-yl]benzonitrile CAS Name: 4-[1-chloro-5-[2-(4-pentylcyclohexyl)ethyl]-2H-pyrimidin-2-yl]benzonitrile IUPAC Name: 4-[1-chloro-5-[2-(4-pentylcyclohexyl)ethyl]-2H-pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-[2-(4-amylcyclohexyl)ethyl]-1-chloro-2H-pyrimidin-2-yl]benzonitrile Formula: C24H32ClN3 MolecularWeight: 397.98398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)CCC2=CN(C(N=C2)C3=CC=C(C=C3)C#N)Cl

Isomeric SMILES

CCCCCC1CCC(CC1)CCC2=CN(C(N=C2)C3=CC=C(C=C3)C#N)Cl

InChI

InChI=1S/C24H32ClN3/c1-2-3-4-5-19-6-8-20(9-7-19)10-11-22-17-27-24(28(25)18-22)23-14-12-21(16-26)13-15-23/h12-15,17-20,24H,2-11H2,1H3