2-butoxy-5-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]benzenecarbonitrile

Systemtic Name: 2-butoxy-5-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]benzenecarbonitrile Openeye Name: 2-butoxy-5-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]benzonitrile CAS Name: 2-butoxy-5-[2-[1-(4-pentylcyclohexyl)ethyl]-5-pyrimidinyl]benzonitrile IUPAC Name: 2-butoxy-5-[2-[1-(4-pentylcyclohexyl)ethyl]pyrimidin-5-yl]benzonitrile Traditional Name: 5-[2-[1-(4-amylcyclohexyl)ethyl]pyrimidin-5-yl]-2-butoxy-benzonitrile Formula: C28H39N3O MolecularWeight: 433.62876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(C)C2=NC=C(C=N2)C3=CC(=C(C=C3)OCCCC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C(C)C2=NC=C(C=N2)C3=CC(=C(C=C3)OCCCC)C#N

InChI

InChI=1S/C28H39N3O/c1-4-6-8-9-22-10-12-23(13-11-22)21(3)28-30-19-26(20-31-28)24-14-15-27(25(17-24)18-29)32-16-7-5-2/h14-15,17,19-23H,4-13,16H2,1-3H3