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

Systemtic Name: 4-[5-(4-decoxycyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-decoxycyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-decoxycyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-decoxycyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-decoxycyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C27H37N3O MolecularWeight: 419.60218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-18-31-26-16-14-23(15-17-26)25-20-29-27(30-21-25)24-12-10-22(19-28)11-13-24/h10-13,20-21,23,26H,2-9,14-18H2,1H3