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

Systemtic Name: 1-chloranyl-3-pentyl-benzene; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenyl-pyrimidine Openeye Name: 1-chloro-3-pentyl-benzene; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenyl-pyrimidine CAS Name: 1-chloro-3-pentylbenzene; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenylpyrimidine IUPAC Name: 1-chloro-3-pentylbenzene; 5-[1-(4-pentylcyclohexyl)ethyl]-2-phenylpyrimidine Traditional Name: 1-amyl-3-chloro-benzene; 5-[1-(4-amylcyclohexyl)ethyl]-2-phenyl-pyrimidine Formula: C34H47ClN2 MolecularWeight: 519.20338

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2.C11H15Cl/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;1-2-3-4-6-10-7-5-8-11(12)9-10/h5,7-8,10-11,16-20H,3-4,6,9,12-15H2,1-2H3;5,7-9H,2-4,6H2,1H3