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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3CCC(CC3)C=CCl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2=CN=C(N=C2)C3CCC(CC3)/C=C/Cl

InChI

InChI=1S/C22H27ClN2/c1-2-3-4-17-5-9-19(10-6-17)21-15-24-22(25-16-21)20-11-7-18(8-12-20)13-14-23/h5-6,9-10,13-16,18,20H,2-4,7-8,11-12H2,1H3/b14-13+