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

Systemtic Name: 4-[5-(4-butoxycyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-butoxycyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-butoxycyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-butoxycyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-butoxycyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C21H25N3O MolecularWeight: 335.4427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H25N3O/c1-2-3-12-25-20-10-8-17(9-11-20)19-14-23-21(24-15-19)18-6-4-16(13-22)5-7-18/h4-7,14-15,17,20H,2-3,8-12H2,1H3