4-[5-(4-propoxycyclohexyl)pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-(4-propoxycyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-propoxycyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-propoxycyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-propoxycyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-propoxycyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C20H23N3O MolecularWeight: 321.41612

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H23N3O/c1-2-11-24-19-9-7-16(8-10-19)18-13-22-20(23-14-18)17-5-3-15(12-21)4-6-17/h3-6,13-14,16,19H,2,7-11H2,1H3