2-pentylbenzenecarbonitrile; 2-pentyl-5-phenyl-pyrimidine

Systemtic Name: 2-pentylbenzenecarbonitrile; 2-pentyl-5-phenyl-pyrimidine Openeye Name: 2-pentylbenzonitrile; 2-pentyl-5-phenyl-pyrimidine CAS Name: 2-pentylbenzonitrile; 2-pentyl-5-phenylpyrimidine IUPAC Name: 2-pentylbenzonitrile; 2-pentyl-5-phenylpyrimidine Traditional Name: 2-amylbenzonitrile; 2-amyl-5-phenyl-pyrimidine Formula: C27H33N3 MolecularWeight: 399.57102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=CC=C1C#N.CCCCCC1=NC=C(C=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC1=CC=CC=C1C#N.CCCCCC1=NC=C(C=N1)C2=CC=CC=C2

InChI

InChI=1S/C15H18N2.C12H15N/c1-2-3-5-10-15-16-11-14(12-17-15)13-8-6-4-7-9-13;1-2-3-4-7-11-8-5-6-9-12(11)10-13/h4,6-9,11-12H,2-3,5,10H2,1H3;5-6,8-9H,2-4,7H2,1H3