5-[4-(4-pentoxyphenyl)phenyl]pyrimidine-2-carbonitrile

Systemtic Name: 5-[4-(4-pentoxyphenyl)phenyl]pyrimidine-2-carbonitrile Openeye Name: 5-[4-(4-pentoxyphenyl)phenyl]pyrimidine-2-carbonitrile CAS Name: 5-[4-(4-pentoxyphenyl)phenyl]-2-pyrimidinecarbonitrile IUPAC Name: 5-[4-(4-pentoxyphenyl)phenyl]pyrimidine-2-carbonitrile Traditional Name: 5-[4-(4-amoxyphenyl)phenyl]pyrimidine-2-carbonitrile Formula: C22H21N3O MolecularWeight: 343.42164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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