4-[5-(4-decylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H37N3/c1-2-3-4-5-6-7-8-9-10-22-11-15-24(16-12-22)26-20-29-27(30-21-26)25-17-13-23(19-28)14-18-25/h13-14,17-18,20-22,24H,2-12,15-16H2,1H3