1-chloranyl-2-pentyl-benzene; 2-(2-chloranyl-4-pentyl-phenyl)-5-phenyl-pyrimidine

Systemtic Name: 1-chloranyl-2-pentyl-benzene; 2-(2-chloranyl-4-pentyl-phenyl)-5-phenyl-pyrimidine Openeye Name: 1-chloro-2-pentyl-benzene; 2-(2-chloro-4-pentyl-phenyl)-5-phenyl-pyrimidine CAS Name: 1-chloro-2-pentylbenzene; 2-(2-chloro-4-pentylphenyl)-5-phenylpyrimidine IUPAC Name: 1-chloro-2-pentylbenzene; 2-(2-chloro-4-pentylphenyl)-5-phenylpyrimidine Traditional Name: 1-amyl-2-chloro-benzene; 2-(4-amyl-2-chloro-phenyl)-5-phenyl-pyrimidine Formula: C32H36Cl2N2 MolecularWeight: 519.54764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=NC=C(C=N2)C3=CC=CC=C3)Cl.CCCCCC1=CC=CC=C1Cl

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=NC=C(C=N2)C3=CC=CC=C3)Cl.CCCCCC1=CC=CC=C1Cl

InChI

InChI=1S/C21H21ClN2.C11H15Cl/c1-2-3-5-8-16-11-12-19(20(22)13-16)21-23-14-18(15-24-21)17-9-6-4-7-10-17;1-2-3-4-7-10-8-5-6-9-11(10)12/h4,6-7,9-15H,2-3,5,8H2,1H3;5-6,8-9H,2-4,7H2,1H3