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

Systemtic Name: 4-[5-(4-hexylcyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-hexylcyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-hexylcyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-hexylcyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-hexylcyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C23H29N3 MolecularWeight: 347.49646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H29N3/c1-2-3-4-5-6-18-7-11-20(12-8-18)22-16-25-23(26-17-22)21-13-9-19(15-24)10-14-21/h9-10,13-14,16-18,20H,2-8,11-12H2,1H3