4-[[4-(5-decylpyrimidin-2-yl)cyclohexyl]methoxy]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-decylpyrimidin-2-yl)cyclohexyl]methoxy]benzenecarbonitrile Openeye Name: 4-[[4-(5-decylpyrimidin-2-yl)cyclohexyl]methoxy]benzonitrile CAS Name: 4-[[4-(5-decyl-2-pyrimidinyl)cyclohexyl]methoxy]benzonitrile IUPAC Name: 4-[[4-(5-decylpyrimidin-2-yl)cyclohexyl]methoxy]benzonitrile Traditional Name: 4-[[4-(5-decylpyrimidin-2-yl)cyclohexyl]methoxy]benzonitrile Formula: C28H39N3O MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2CCC(CC2)COC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2CCC(CC2)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C28H39N3O/c1-2-3-4-5-6-7-8-9-10-25-20-30-28(31-21-25)26-15-11-24(12-16-26)22-32-27-17-13-23(19-29)14-18-27/h13-14,17-18,20-21,24,26H,2-12,15-16,22H2,1H3