2-pentylbenzenecarbonitrile; 5-(4-pentylcyclohexyl)-2-phenyl-pyrimidine

Systemtic Name: 2-pentylbenzenecarbonitrile; 5-(4-pentylcyclohexyl)-2-phenyl-pyrimidine Openeye Name: 2-pentylbenzonitrile; 5-(4-pentylcyclohexyl)-2-phenyl-pyrimidine CAS Name: 2-pentylbenzonitrile; 5-(4-pentylcyclohexyl)-2-phenylpyrimidine IUPAC Name: 2-pentylbenzonitrile; 5-(4-pentylcyclohexyl)-2-phenylpyrimidine Traditional Name: 2-amylbenzonitrile; 5-(4-amylcyclohexyl)-2-phenyl-pyrimidine Formula: C33H43N3 MolecularWeight: 481.71462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC=C3.CCCCCC1=CC=CC=C1C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2=CN=C(N=C2)C3=CC=CC=C3.CCCCCC1=CC=CC=C1C#N

InChI

InChI=1S/C21H28N2.C12H15N/c1-2-3-5-8-17-11-13-18(14-12-17)20-15-22-21(23-16-20)19-9-6-4-7-10-19;1-2-3-4-7-11-8-5-6-9-12(11)10-13/h4,6-7,9-10,15-18H,2-3,5,8,11-14H2,1H3;5-6,8-9H,2-4,7H2,1H3