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

Systemtic Name: 1-(2-methylbutyl)-4-[4-(5-nonylpyrimidin-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(2-methylbutyl)-4-[4-(5-nonylpyrimidin-2-yl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(2-methylbutyl)-4-[4-(5-nonyl-2-pyrimidinyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(2-methylbutyl)-4-[4-(5-nonylpyrimidin-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(2-methylbutyl)-4-[4-(5-nonylpyrimidin-2-yl)phenyl]cyclohexanecarbonitrile Formula: C31H45N3 MolecularWeight: 459.7091

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3CCC(CC3)(CC(C)CC)C#N

InChI

InChI=1S/C31H45N3/c1-4-6-7-8-9-10-11-12-26-22-33-30(34-23-26)29-15-13-27(14-16-29)28-17-19-31(24-32,20-18-28)21-25(3)5-2/h13-16,22-23,25,28H,4-12,17-21H2,1-3H3