5-[(E)-pent-1-enyl]-2-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine

Systemtic Name: 5-[(E)-pent-1-enyl]-2-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine Openeye Name: 5-[(E)-pent-1-enyl]-2-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine CAS Name: 5-[(E)-pent-1-enyl]-2-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine IUPAC Name: 5-[(E)-pent-1-enyl]-2-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine Traditional Name: 5-[(E)-pent-1-enyl]-2-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine Formula: C26H32N2 MolecularWeight: 372.54568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC1=CN=C(N=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)CCC

Isomeric SMILES

CCC/C=C/C1=CN=C(N=C1)C#CC2=CC=C(C=C2)C3CCC(CC3)CCC

InChI

InChI=1S/C26H32N2/c1-3-5-6-8-23-19-27-26(28-20-23)18-13-22-11-16-25(17-12-22)24-14-9-21(7-4-2)10-15-24/h6,8,11-12,16-17,19-21,24H,3-5,7,9-10,14-15H2,1-2H3/b8-6+