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

Systemtic Name: 1-(3-methylpentyl)-4-[4-(5-nonylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(3-methylpentyl)-4-[4-(5-nonyl-2-pyridyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(3-methylpentyl)-4-[4-(5-nonyl-2-pyridinyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(3-methylpentyl)-4-[4-(5-nonylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(3-methylpentyl)-4-[4-(5-nonyl-2-pyridyl)phenyl]cyclohexanecarbonitrile Formula: C33H48N2 MolecularWeight: 472.74762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H48N2/c1-4-6-7-8-9-10-11-12-28-13-18-32(35-25-28)31-16-14-29(15-17-31)30-20-23-33(26-34,24-21-30)22-19-27(3)5-2/h13-18,25,27,30H,4-12,19-24H2,1-3H3