4-(3-butylphenyl)-5-[(E)-2-chloranylethenyl]-2-cyclohexyl-pyrimidine

Systemtic Name: 4-(3-butylphenyl)-5-[(E)-2-chloranylethenyl]-2-cyclohexyl-pyrimidine Openeye Name: 4-(3-butylphenyl)-5-[(E)-2-chlorovinyl]-2-cyclohexyl-pyrimidine CAS Name: 4-(3-butylphenyl)-5-[(E)-2-chloroethenyl]-2-cyclohexylpyrimidine IUPAC Name: 4-(3-butylphenyl)-5-[(E)-2-chloroethenyl]-2-cyclohexylpyrimidine Traditional Name: 4-(3-butylphenyl)-5-[(E)-2-chlorovinyl]-2-cyclohexyl-pyrimidine Formula: C22H27ClN2 MolecularWeight: 354.91618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC(=C1)C2=NC(=NC=C2C=CCl)C3CCCCC3

Isomeric SMILES

CCCCC1=CC=CC(=C1)C2=NC(=NC=C2/C=C/Cl)C3CCCCC3

InChI

InChI=1S/C22H27ClN2/c1-2-3-8-17-9-7-12-19(15-17)21-20(13-14-23)16-24-22(25-21)18-10-5-4-6-11-18/h7,9,12-16,18H,2-6,8,10-11H2,1H3/b14-13+