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

Systemtic Name: 2-[(E)-but-1-enyl]-5-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine Openeye Name: 2-[(E)-but-1-enyl]-5-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine CAS Name: 2-[(E)-but-1-enyl]-5-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine IUPAC Name: 2-[(E)-but-1-enyl]-5-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine Traditional Name: 2-[(E)-but-1-enyl]-5-[2-[4-(4-propylcyclohexyl)phenyl]ethynyl]pyrimidine Formula: C25H30N2 MolecularWeight: 358.5191

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CN=C(N=C3)C=CCC

Isomeric SMILES

CCCC1CCC(CC1)C2=CC=C(C=C2)C#CC3=CN=C(N=C3)/C=C/CC

InChI

InChI=1S/C25H30N2/c1-3-5-7-25-26-18-22(19-27-25)9-8-21-12-16-24(17-13-21)23-14-10-20(6-4-2)11-15-23/h5,7,12-13,16-20,23H,3-4,6,10-11,14-15H2,1-2H3/b7-5+