4-[4-(2-pentoxypyrimidin-5-yl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(2-pentoxypyrimidin-5-yl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(2-pentoxypyrimidin-5-yl)phenyl]benzonitrile CAS Name: 4-[4-(2-pentoxy-5-pyrimidinyl)phenyl]benzonitrile IUPAC Name: 4-[4-(2-pentoxypyrimidin-5-yl)phenyl]benzonitrile Traditional Name: 4-[4-(2-amoxypyrimidin-5-yl)phenyl]benzonitrile Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCOC1=NC=C(C=N1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H21N3O/c1-2-3-4-13-26-22-24-15-21(16-25-22)20-11-9-19(10-12-20)18-7-5-17(14-23)6-8-18/h5-12,15-16H,2-4,13H2,1H3