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

Systemtic Name: 4-[5-(4-nonoxycyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-nonoxycyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-nonoxycyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-nonoxycyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-nonoxycyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C26H35N3O/c1-2-3-4-5-6-7-8-17-30-25-15-13-22(14-16-25)24-19-28-26(29-20-24)23-11-9-21(18-27)10-12-23/h9-12,19-20,22,25H,2-8,13-17H2,1H3