3-chloranylpentylbenzene; 2-pentyl-5-phenyl-pyrimidine

Systemtic Name: 3-chloranylpentylbenzene; 2-pentyl-5-phenyl-pyrimidine Openeye Name: 3-chloropentylbenzene; 2-pentyl-5-phenyl-pyrimidine CAS Name: 3-chloropentylbenzene; 2-pentyl-5-phenylpyrimidine IUPAC Name: 3-chloropentylbenzene; 2-pentyl-5-phenylpyrimidine Traditional Name: 2-amyl-5-phenyl-pyrimidine; 3-chloropentylbenzene Formula: C26H33ClN2 MolecularWeight: 409.00662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC=C(C=N1)C2=CC=CC=C2.CCC(CCC1=CC=CC=C1)Cl

Isomeric SMILES

CCCCCC1=NC=C(C=N1)C2=CC=CC=C2.CCC(CCC1=CC=CC=C1)Cl

InChI

InChI=1S/C15H18N2.C11H15Cl/c1-2-3-5-10-15-16-11-14(12-17-15)13-8-6-4-7-9-13;1-2-11(12)9-8-10-6-4-3-5-7-10/h4,6-9,11-12H,2-3,5,10H2,1H3;3-7,11H,2,8-9H2,1H3