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

Systemtic Name: 1-(3-methylpentyl)-4-[4-(5-pent-4-enylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Openeye Name: 1-(3-methylpentyl)-4-[4-(5-pent-4-enyl-2-pyridyl)phenyl]cyclohexanecarbonitrile CAS Name: 1-(3-methylpentyl)-4-[4-(5-pent-4-enyl-2-pyridinyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(3-methylpentyl)-4-[4-(5-pent-4-enylpyridin-2-yl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(3-methylpentyl)-4-[4-(5-pent-4-enyl-2-pyridyl)phenyl]cyclohexanecarbonitrile Formula: C29H38N2 MolecularWeight: 414.62542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC1(CCC(CC1)C2=CC=C(C=C2)C3=NC=C(C=C3)CCCC=C)C#N

Isomeric SMILES

CCC(C)CCC1(CCC(CC1)C2=CC=C(C=C2)C3=NC=C(C=C3)CCCC=C)C#N

InChI

InChI=1S/C29H38N2/c1-4-6-7-8-24-9-14-28(31-21-24)27-12-10-25(11-13-27)26-16-19-29(22-30,20-17-26)18-15-23(3)5-2/h4,9-14,21,23,26H,1,5-8,15-20H2,2-3H3