4-[5-(4-heptylphenyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile

Systemtic Name: 4-[5-(4-heptylphenyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile Openeye Name: 4-[5-(4-heptylphenyl)pyrimidin-2-yl]cyclohexanecarbonitrile CAS Name: 4-[5-(4-heptylphenyl)-2-pyrimidinyl]-1-cyclohexanecarbonitrile IUPAC Name: 4-[5-(4-heptylphenyl)pyrimidin-2-yl]cyclohexane-1-carbonitrile Traditional Name: 4-[5-(4-heptylphenyl)pyrimidin-2-yl]cyclohexanecarbonitrile Formula: C24H31N3 MolecularWeight: 361.52304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3CCC(CC3)C#N

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3CCC(CC3)C#N

InChI

InChI=1S/C24H31N3/c1-2-3-4-5-6-7-19-8-12-21(13-9-19)23-17-26-24(27-18-23)22-14-10-20(16-25)11-15-22/h8-9,12-13,17-18,20,22H,2-7,10-11,14-15H2,1H3