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

Systemtic Name: 2-methyl-4-[5-[2-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-methyl-4-[5-[2-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]benzonitrile CAS Name: 2-methyl-4-[5-[2-(4-pentylcyclohexyl)ethyl]-2-pyrimidinyl]benzonitrile IUPAC Name: 2-methyl-4-[5-[2-(4-pentylcyclohexyl)ethyl]pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-[2-(4-amylcyclohexyl)ethyl]pyrimidin-2-yl]-2-methyl-benzonitrile Formula: C25H33N3 MolecularWeight: 375.54962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3/c1-3-4-5-6-20-7-9-21(10-8-20)11-12-22-17-27-25(28-18-22)23-13-14-24(16-26)19(2)15-23/h13-15,17-18,20-21H,3-12H2,1-2H3