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

Systemtic Name: 4-[5-(4-heptoxycyclohexyl)pyrimidin-2-yl]benzenecarbonitrile Openeye Name: 4-[5-(4-heptoxycyclohexyl)pyrimidin-2-yl]benzonitrile CAS Name: 4-[5-(4-heptoxycyclohexyl)-2-pyrimidinyl]benzonitrile IUPAC Name: 4-[5-(4-heptoxycyclohexyl)pyrimidin-2-yl]benzonitrile Traditional Name: 4-[5-(4-heptoxycyclohexyl)pyrimidin-2-yl]benzonitrile Formula: C24H31N3O MolecularWeight: 377.52244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCCCCOC1CCC(CC1)C2=CN=C(N=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H31N3O/c1-2-3-4-5-6-15-28-23-13-11-20(12-14-23)22-17-26-24(27-18-22)21-9-7-19(16-25)8-10-21/h7-10,17-18,20,23H,2-6,11-15H2,1H3