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

Systemtic Name: 4-[5-(4-hexoxycyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-hexoxycyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-hexoxycyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-hexoxycyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-hexoxycyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C23H29N3O MolecularWeight: 363.49586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H29N3O/c1-2-3-4-5-14-27-22-12-10-19(11-13-22)21-16-25-23(26-17-21)20-8-6-18(15-24)7-9-20/h6-9,16-17,19,22H,2-5,10-14H2,1H3