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

Systemtic Name: 2-[4-(4-butoxyphenyl)phenyl]pyrimidine-5-carbonitrile Openeye Name: 2-[4-(4-butoxyphenyl)phenyl]pyrimidine-5-carbonitrile CAS Name: 2-[4-(4-butoxyphenyl)phenyl]-5-pyrimidinecarbonitrile IUPAC Name: 2-[4-(4-butoxyphenyl)phenyl]pyrimidine-5-carbonitrile Traditional Name: 2-[4-(4-butoxyphenyl)phenyl]pyrimidine-5-carbonitrile Formula: C21H19N3O MolecularWeight: 329.39506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C#N

InChI

InChI=1S/C21H19N3O/c1-2-3-12-25-20-10-8-18(9-11-20)17-4-6-19(7-5-17)21-23-14-16(13-22)15-24-21/h4-11,14-15H,2-3,12H2,1H3