1-methyl-3-pentyl-benzene; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenyl-pyrimidine

Systemtic Name: 1-methyl-3-pentyl-benzene; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenyl-pyrimidine Openeye Name: 1-methyl-3-pentyl-benzene; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenyl-pyrimidine CAS Name: 1-methyl-3-pentylbenzene; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenylpyrimidine IUPAC Name: 1-methyl-3-pentylbenzene; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenylpyrimidine Traditional Name: 5-[1-(4-amylcyclohexyl)ethyl]-2-phenyl-pyrimidine; 1-amyl-3-methyl-benzene Formula: C35H50N2 MolecularWeight: 498.7849

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(C)C2=CN=C(N=C2)C3=CC=CC=C3.CCCCCC1=CC=CC(=C1)C

Isomeric SMILES

CCCCCC1CCC(CC1)C(C)C2=CN=C(N=C2)C3=CC=CC=C3.CCCCCC1=CC=CC(=C1)C

InChI

InChI=1S/C23H32N2.C12H18/c1-3-4-6-9-19-12-14-20(15-13-19)18(2)22-16-24-23(25-17-22)21-10-7-5-8-11-21;1-3-4-5-8-12-9-6-7-11(2)10-12/h5,7-8,10-11,16-20H,3-4,6,9,12-15H2,1-2H3;6-7,9-10H,3-5,8H2,1-2H3