3-(4-heptylphenyl)-1-pyrimidin-2-yl-cyclohexane-1-carbonitrile

Systemtic Name: 3-(4-heptylphenyl)-1-pyrimidin-2-yl-cyclohexane-1-carbonitrile Openeye Name: 3-(4-heptylphenyl)-1-pyrimidin-2-yl-cyclohexanecarbonitrile CAS Name: 3-(4-heptylphenyl)-1-(2-pyrimidinyl)-1-cyclohexanecarbonitrile IUPAC Name: 3-(4-heptylphenyl)-1-pyrimidin-2-ylcyclohexane-1-carbonitrile Traditional Name: 3-(4-heptylphenyl)-1-(2-pyrimidyl)cyclohexanecarbonitrile Formula: C24H31N3 MolecularWeight: 361.52304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2CCCC(C2)(C#N)C3=NC=CC=N3

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2CCCC(C2)(C#N)C3=NC=CC=N3

InChI

InChI=1S/C24H31N3/c1-2-3-4-5-6-9-20-11-13-21(14-12-20)22-10-7-15-24(18-22,19-25)23-26-16-8-17-27-23/h8,11-14,16-17,22H,2-7,9-10,15,18H2,1H3