4-[5-[4-(4-methylhexyl)cyclohexyl]pyrimidin-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[4-(4-methylhexyl)cyclohexyl]pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-[4-(4-methylhexyl)cyclohexyl]pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-[4-(4-methylhexyl)cyclohexyl]-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-[4-(4-methylhexyl)cyclohexyl]pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-[4-(4-methylhexyl)cyclohexyl]pyrimidin-2-yl]benzonitrile Formula: C24H31N3 MolecularWeight: 361.52304

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC(C)CCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H31N3/c1-3-18(2)5-4-6-19-7-11-21(12-8-19)23-16-26-24(27-17-23)22-13-9-20(15-25)10-14-22/h9-10,13-14,16-19,21H,3-8,11-12H2,1-2H3