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

Systemtic Name: 4-[5-(4-pentoxycyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-pentoxycyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-pentoxycyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-pentoxycyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-amoxycyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C22H27N3O MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H27N3O/c1-2-3-4-13-26-21-11-9-18(10-12-21)20-15-24-22(25-16-20)19-7-5-17(14-23)6-8-19/h5-8,15-16,18,21H,2-4,9-13H2,1H3