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

Systemtic Name: 4-[5-(4-pentoxyphenyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-pentoxyphenyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-pentoxyphenyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-pentoxyphenyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-amoxyphenyl)pyrimidin-2-yl]benzonitrile Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O/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/h5-12,15-16H,2-4,13H2,1H3