1-(2-methylbutyl)-4-[4-(5-octylpyrimidin-2-yl)phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 1-(2-methylbutyl)-4-[4-(5-octylpyrimidin-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(2-methylbutyl)-4-[4-(5-octylpyrimidin-2-yl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(2-methylbutyl)-4-[4-(5-octyl-2-pyrimidinyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-methylbutyl)-4-[4-(5-octylpyrimidin-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(2-methylbutyl)-4-[4-(5-octylpyrimidin-2-yl)phenyl]cyclohexanecarbonitrile Formula: C30H43N3 MolecularWeight: 445.68252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C30H43N3/c1-4-6-7-8-9-10-11-25-21-32-29(33-22-25)28-14-12-26(13-15-28)27-16-18-30(23-31,19-17-27)20-24(3)5-2/h12-15,21-22,24,27H,4-11,16-20H2,1-3H3