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

Systemtic Name: 4-chloranyl-2-(4-heptoxyphenyl)pyrimidine-5-carbonitrile Openeye Name: 4-chloro-2-(4-heptoxyphenyl)pyrimidine-5-carbonitrile CAS Name: 4-chloro-2-(4-heptoxyphenyl)-5-pyrimidinecarbonitrile IUPAC Name: 4-chloro-2-(4-heptoxyphenyl)pyrimidine-5-carbonitrile Traditional Name: 4-chloro-2-(4-heptoxyphenyl)pyrimidine-5-carbonitrile Formula: C18H20ClN3O MolecularWeight: 329.8239

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O/c1-2-3-4-5-6-11-23-16-9-7-14(8-10-16)18-21-13-15(12-20)17(19)22-18/h7-10,13H,2-6,11H2,1H3