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

Systemtic Name: 2-butoxy-5-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 2-butoxy-5-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 2-butoxy-5-[5-(4-pentylcyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 2-butoxy-5-[5-(4-pentylcyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 5-[5-(4-amylcyclohexyl)pyrimidin-2-yl]-2-butoxy-benzonitrile Formula: C26H35N3O MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O/c1-3-5-7-8-20-9-11-21(12-10-20)24-18-28-26(29-19-24)22-13-14-25(23(16-22)17-27)30-15-6-4-2/h13-14,16,18-21H,3-12,15H2,1-2H3