4-[4-(5-hexylpyridin-2-yl)phenyl]-1-(3-methylpentyl)cyclohexane-1-carbonitrile

Systemtic Name: 4-[4-(5-hexylpyridin-2-yl)phenyl]-1-(3-methylpentyl)cyclohexane-1-carbonitrile Openeye Name: 4-[4-(5-hexyl-2-pyridyl)phenyl]-1-(3-methylpentyl)cyclohexanecarbonitrile CAS Name: 4-[4-(5-hexyl-2-pyridinyl)phenyl]-1-(3-methylpentyl)-1-cyclohexanecarbonitrile IUPAC Name: 4-[4-(5-hexylpyridin-2-yl)phenyl]-1-(3-methylpentyl)cyclohexane-1-carbonitrile Traditional Name: 4-[4-(5-hexyl-2-pyridyl)phenyl]-1-(3-methylpentyl)cyclohexanecarbonitrile Formula: C30H42N2 MolecularWeight: 430.66788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCC(C)CC)C#N

Isomeric SMILES

CCCCCCC1=CN=C(C=C1)C2=CC=C(C=C2)C3CCC(CC3)(CCC(C)CC)C#N

InChI

InChI=1S/C30H42N2/c1-4-6-7-8-9-25-10-15-29(32-22-25)28-13-11-26(12-14-28)27-17-20-30(23-31,21-18-27)19-16-24(3)5-2/h10-15,22,24,27H,4-9,16-21H2,1-3H3