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

Systemtic Name: 2-[4-(4-pentoxyphenyl)phenyl]pyrimidine-5-carbonitrile Openeye Name: 2-[4-(4-pentoxyphenyl)phenyl]pyrimidine-5-carbonitrile CAS Name: 2-[4-(4-pentoxyphenyl)phenyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-(4-pentoxyphenyl)phenyl]pyrimidine-5-carbonitrile Traditional Name: 2-[4-(4-amoxyphenyl)phenyl]pyrimidine-5-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=NC=C(C=N3)C#N

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

InChI

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