2-(4-heptoxyphenyl)pyrimidine-5-carbonitrile

Systemtic Name: 2-(4-heptoxyphenyl)pyrimidine-5-carbonitrile Openeye Name: 2-(4-heptoxyphenyl)pyrimidine-5-carbonitrile CAS Name: 2-(4-heptoxyphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 2-(4-heptoxyphenyl)pyrimidine-5-carbonitrile Traditional Name: 2-(4-heptoxyphenyl)pyrimidine-5-carbonitrile Formula: C18H21N3O MolecularWeight: 295.37884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C#N

InChI

InChI=1S/C18H21N3O/c1-2-3-4-5-6-11-22-17-9-7-16(8-10-17)18-20-13-15(12-19)14-21-18/h7-10,13-14H,2-6,11H2,1H3