4-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-2-yl]-2-methyl-benzenecarbonitrile

Systemtic Name: 4-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-2-yl]-2-methyl-benzenecarbonitrile Openeye Name: 4-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-2-yl]-2-methyl-benzonitrile CAS Name: 4-[5-[2-(4-heptylcyclohexyl)ethyl]-2-pyrimidinyl]-2-methylbenzonitrile IUPAC Name: 4-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-2-yl]-2-methylbenzonitrile Traditional Name: 4-[5-[2-(4-heptylcyclohexyl)ethyl]pyrimidin-2-yl]-2-methyl-benzonitrile Formula: C27H37N3 MolecularWeight: 403.60278

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC(=C(C=C3)C#N)C

Isomeric SMILES

CCCCCCCC1CCC(CC1)CCC2=CN=C(N=C2)C3=CC(=C(C=C3)C#N)C

InChI

InChI=1S/C27H37N3/c1-3-4-5-6-7-8-22-9-11-23(12-10-22)13-14-24-19-29-27(30-20-24)25-15-16-26(18-28)21(2)17-25/h15-17,19-20,22-23H,3-14H2,1-2H3